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141484-05-1 | 3-Cyclohexen-1-amine, N,4-dimethyl-N-(4-methyl-3-penten-1-yl)-, (1S)-
CAS No: 141484-05-1 Catalog No: AG001GGP MDL No:
Product Description
Catalog Number:
AG001GGP
Chemical Name:
3-Cyclohexen-1-amine, N,4-dimethyl-N-(4-methyl-3-penten-1-yl)-, (1S)-
CAS Number:
141484-05-1
Molecular Formula:
C14H25N
Molecular Weight:
207.3550
IUPAC Name:
(1S)-N,4-dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-en-1-amine
InChI:
InChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/t14-/m1/s1
InChI Key:
GGPFTSMJRHEOJG-CQSZACIVSA-N
SMILES:
CC(=CCCN([C@H]1CCC(=CC1)C)C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
207.199g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.361g/mol
Monoisotopic Mass:
207.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Molecular recognition of the substrate diphosphate group governs product diversity in trichodiene synthase mutants. | Biochemistry 20050426 |
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