(1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine

C20H24N2 — CID 51587201

IUPAC(1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine
SMILESCc1cnccc1CN[C@@H]1[C@H]2CCC[C@H]2[C@H]1c1ccccc1
InChIInChI=1S/C20H24N2/c1-14-12-21-11-10-16(14)13-22-20-18-9-5-8-17(18)19(20)15-6-3-2-4-7-15/h2-4,6-7,10-12,17-20,22H,5,8-9,13H2,1H3/t17-,18+,19-,20-/m1/s1
InChIKeyGAOIPVOSZLYRCS-IYWMVGAKSA-N
MW292.43 g/mol
LogP4.06
Rot. Bonds4

About (1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine

(1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine (PubChem CID 51587201) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name(1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine
PubChem CID51587201
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name(1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine
SMILESCc1cnccc1CN[C@@H]1[C@H]2CCC[C@H]2[C@H]1c1ccccc1
InChIInChI=1S/C20H24N2/c1-14-12-21-11-10-16(14)13-22-20-18-9-5-8-17(18)19(20)15-6-3-2-4-7-15/h2-4,6-7,10-12,17-20,22H,5,8-9,13H2,1H3/t17-,18+,19-,20-/m1/s1
InChIKeyGAOIPVOSZLYRCS-IYWMVGAKSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine with MolForge

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Related Compounds

(7S,8R)-8-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]bicyclo[4.2.0]octan-7-amine
CID 110216273
(1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine
CID 51590446
(1S,5R,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine
CID 51590448
(7R,8S)-8-(4-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]bicyclo[4.2.0]octan-7-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670015
(1S,5S,6S,7R)-N-[(2-methylpyrimidin-5-yl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine
CID 92565474
N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine
CID 114698974
2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114698819
N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448832
(7S,8R)-8-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)bicyclo[4.2.0]octan-7-amine
CID 110216283
3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 114699082
2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine
CID 114698950
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114699208

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine?
The IUPAC name of (1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine (CID 51587201) is (1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for (1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for (1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine is Cc1cnccc1CN[C@@H]1[C@H]2CCC[C@H]2[C@H]1c1ccccc1.
What is the InChIKey of (1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine?
The InChIKey is GAOIPVOSZLYRCS-IYWMVGAKSA-N. The full InChI is InChI=1S/C20H24N2/c1-14-12-21-11-10-16(14)13-22-20-18-9-5-8-17(18)19(20)15-6-3-2-4-7-15/h2-4,6-7,10-12,17-20,22H,5,8-9,13H2,1H3/t17-,18+,19-,20-/m1/s1.
What are the key properties of (1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine?
(1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine has a molecular weight of 292.43 g/mol, XLogP of 4.06, 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)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 51587201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).