(1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine

C19H22N2 — CID 51590446

IUPAC(1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine
SMILESc1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@H]2NCc2cccnc2)cc1
InChIInChI=1S/C19H22N2/c1-2-7-15(8-3-1)18-16-9-4-10-17(16)19(18)21-13-14-6-5-11-20-12-14/h1-3,5-8,11-12,16-19,21H,4,9-10,13H2/t16-,17+,18-,19-/m1/s1
InChIKeyGWXPQEXEPYMTMU-FCGDIQPGSA-N
MW278.40 g/mol
LogP3.75
Rot. Bonds4

About (1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine

(1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine (PubChem CID 51590446) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name(1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine
PubChem CID51590446
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine
SMILESc1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@H]2NCc2cccnc2)cc1
InChIInChI=1S/C19H22N2/c1-2-7-15(8-3-1)18-16-9-4-10-17(16)19(18)21-13-14-6-5-11-20-12-14/h1-3,5-8,11-12,16-19,21H,4,9-10,13H2/t16-,17+,18-,19-/m1/s1
InChIKeyGWXPQEXEPYMTMU-FCGDIQPGSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine with MolForge

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Related Compounds

(1S,5R,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine
CID 51590448
(7S,8R)-8-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)bicyclo[4.2.0]octan-7-amine
CID 110216283
N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide
CID 126417107
(1S,5S,6S,7R)-N-[(2-methylpyrimidin-5-yl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine
CID 92565474
(1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine
CID 51587201
2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43769450
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803
N-(pyridin-3-ylmethyl)pyrrolidin-2-amine
CID 90939130
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
N-[(1S,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-pyridin-3-ylpropanamide
CID 92596571

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine?
The IUPAC name of (1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine (CID 51590446) is (1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for (1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for (1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine is c1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@H]2NCc2cccnc2)cc1.
What is the InChIKey of (1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine?
The InChIKey is GWXPQEXEPYMTMU-FCGDIQPGSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-7-15(8-3-1)18-16-9-4-10-17(16)19(18)21-13-14-6-5-11-20-12-14/h1-3,5-8,11-12,16-19,21H,4,9-10,13H2/t16-,17+,18-,19-/m1/s1.
What are the key properties of (1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine?
(1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine has a molecular weight of 278.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 51590446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).