(4aS,6S,7aS)-N-benzyl-7a-phenyl-N-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine

C29H33NO — CID 134786894

IUPAC(4aS,6S,7aS)-N-benzyl-7a-phenyl-N-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine
SMILESc1ccc(CCN(Cc2ccccc2)[C@H]2C[C@H]3CCOC[C@@]3(c3ccccc3)C2)cc1
InChIInChI=1S/C29H33NO/c1-4-10-24(11-5-1)16-18-30(22-25-12-6-2-7-13-25)28-20-27-17-19-31-23-29(27,21-28)26-14-8-3-9-15-26/h1-15,27-28H,16-23H2/t27-,28+,29-/m1/s1
InChIKeyCFADFQPKGPIHCZ-SSBOKUKZSA-N
MW411.59 g/mol
LogP5.87
Rot. Bonds7

About (4aS,6S,7aS)-N-benzyl-7a-phenyl-N-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine

(4aS,6S,7aS)-N-benzyl-7a-phenyl-N-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine (PubChem CID 134786894) has the molecular formula C29H33NO and a molecular weight of 411.59 g/mol. Its IUPAC name is (4aS,6S,7aS)-N-benzyl-7a-phenyl-N-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine.

Molecular Properties

Compound Name(4aS,6S,7aS)-N-benzyl-7a-phenyl-N-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine
PubChem CID134786894
Molecular FormulaC29H33NO
Molecular Weight411.59 g/mol
Exact Mass411.26
IUPAC Name(4aS,6S,7aS)-N-benzyl-7a-phenyl-N-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine
SMILESc1ccc(CCN(Cc2ccccc2)[C@H]2C[C@H]3CCOC[C@@]3(c3ccccc3)C2)cc1
InChIInChI=1S/C29H33NO/c1-4-10-24(11-5-1)16-18-30(22-25-12-6-2-7-13-25)28-20-27-17-19-31-23-29(27,21-28)26-14-8-3-9-15-26/h1-15,27-28H,16-23H2/t27-,28+,29-/m1/s1
InChIKeyCFADFQPKGPIHCZ-SSBOKUKZSA-N
XLogP5.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aS,6S,7aS)-N-benzyl-7a-phenyl-N-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4aS,6R,7aS)-N-benzyl-7a-phenyl-3-propan-2-yl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine
CID 134786275
(3S,4aS,6S,7aS)-N-benzyl-N-methyl-3-phenyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-6-amine
CID 132463759
(3S,4aS,6R,7aS)-N-benzyl-N-methyl-7a-phenyl-3-propan-2-yl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine
CID 132465866
(4aR,6R,7aS)-N-benzyl-N-methyl-4a-phenyl-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-6-amine
CID 134786564
(4aS,6S,7aS)-N-benzyl-N-methyl-7a-phenyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine
CID 134787045
N,N-dibenzyl-2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 68314265
N,N-dibenzyl-2-[(9S)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 68314266
N,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 77476303
1-benzyl-2-[3-(4-fluorophenyl)oxan-4-yl]-3,6-dihydro-2H-pyridine
CID 142667128
methyl N-[(4aR,6R,7aS)-4a-phenyl-3,4,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-6-yl]-N-benzylcarbamate
CID 132454198
N-[(4aS,6R,7aS)-7a-phenyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-yl]-N-benzylbenzamide
CID 132457267
(4aS,6R,7aS)-N-benzyl-7a-phenyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine
CID 132464132

Frequently Asked Questions

What is the IUPAC name of (4aS,6S,7aS)-N-benzyl-7a-phenyl-N-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine?
The IUPAC name of (4aS,6S,7aS)-N-benzyl-7a-phenyl-N-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine (CID 134786894) is (4aS,6S,7aS)-N-benzyl-7a-phenyl-N-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine.
What is the SMILES notation for (4aS,6S,7aS)-N-benzyl-7a-phenyl-N-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine?
The canonical SMILES for (4aS,6S,7aS)-N-benzyl-7a-phenyl-N-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine is c1ccc(CCN(Cc2ccccc2)[C@H]2C[C@H]3CCOC[C@@]3(c3ccccc3)C2)cc1.
What is the InChIKey of (4aS,6S,7aS)-N-benzyl-7a-phenyl-N-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine?
The InChIKey is CFADFQPKGPIHCZ-SSBOKUKZSA-N. The full InChI is InChI=1S/C29H33NO/c1-4-10-24(11-5-1)16-18-30(22-25-12-6-2-7-13-25)28-20-27-17-19-31-23-29(27,21-28)26-14-8-3-9-15-26/h1-15,27-28H,16-23H2/t27-,28+,29-/m1/s1.
What are the key properties of (4aS,6S,7aS)-N-benzyl-7a-phenyl-N-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine?
(4aS,6S,7aS)-N-benzyl-7a-phenyl-N-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine has a molecular weight of 411.59 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6S,7aS)-N-benzyl-7a-phenyl-N-(2-phenylethyl)-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyran-6-amine is sourced from PubChem (CID 134786894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).