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206768-92-5 | Benzenemethanamine, N-[(1R)-1-cyclohexyl-3-buten-1-yl]-
CAS No: 206768-92-5 Catalog No: AG002INZ MDL No:
Product Description
Catalog Number:
AG002INZ
Chemical Name:
Benzenemethanamine, N-[(1R)-1-cyclohexyl-3-buten-1-yl]-
CAS Number:
206768-92-5
Molecular Formula:
C17H25N
Molecular Weight:
243.3871
IUPAC Name:
(1R)-N-benzyl-1-cyclohexylbut-3-en-1-amine
InChI:
InChI=1S/C17H25N/c1-2-9-17(16-12-7-4-8-13-16)18-14-15-10-5-3-6-11-15/h2-3,5-6,10-11,16-18H,1,4,7-9,12-14H2/t17-/m1/s1
InChI Key:
RGTCJFMPLVESKN-QGZVFWFLSA-N
SMILES:
C=CC[C@H](C1CCCCC1)NCc1ccccc1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.199g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.394g/mol
Monoisotopic Mass:
243.199g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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