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

C19H22N2 — CID 51590448

IUPAC(1S,5R,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+/m0/s1
InChIKeyGWXPQEXEPYMTMU-WJFTUGDTSA-N
MW278.40 g/mol
LogP3.75
Rot. Bonds4

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

(1S,5R,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine (PubChem CID 51590448) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (1S,5R,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name(1S,5R,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine
PubChem CID51590448
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(1S,5R,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+/m0/s1
InChIKeyGWXPQEXEPYMTMU-WJFTUGDTSA-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

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine?
The IUPAC name of (1S,5R,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine (CID 51590448) is (1S,5R,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for (1S,5R,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for (1S,5R,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 (1S,5R,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine?
The InChIKey is GWXPQEXEPYMTMU-WJFTUGDTSA-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+/m0/s1.
What are the key properties of (1S,5R,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine?
(1S,5R,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 (1S,5R,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 51590448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).