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820980-16-3 | 3-Pyrrolidinamine, N-cyclopentyl-N-[(2,3-dimethylphenyl)methyl]-, (3S)-
CAS No: 820980-16-3 Catalog No: AG004WX2 MDL No:
Product Description
Catalog Number:
AG004WX2
Chemical Name:
3-Pyrrolidinamine, N-cyclopentyl-N-[(2,3-dimethylphenyl)methyl]-, (3S)-
CAS Number:
820980-16-3
Molecular Formula:
C18H28N2
Molecular Weight:
272.4283
IUPAC Name:
(3S)-N-cyclopentyl-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine
InChI:
InChI=1S/C18H28N2/c1-14-6-5-7-16(15(14)2)13-20(17-8-3-4-9-17)18-10-11-19-12-18/h5-7,17-19H,3-4,8-13H2,1-2H3/t18-/m0/s1
InChI Key:
QWLYSBNMDNWIMP-SFHVURJKSA-N
SMILES:
Cc1c(cccc1C)CN([C@H]1CCNC1)C1CCCC1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
272.225g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.436g/mol
Monoisotopic Mass:
272.225g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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