8-cyclohexyl-4-cyclopentyl-2-methyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[b]azocine

C23H41N — CID 146520093

IUPAC8-cyclohexyl-4-cyclopentyl-2-methyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[b]azocine
SMILESCC1CC(C2CCCC2)CCC2CC(C3CCCCC3)CCC2N1
InChIInChI=1S/C23H41N/c1-17-15-20(18-9-5-6-10-18)11-12-22-16-21(13-14-23(22)24-17)19-7-3-2-4-8-19/h17-24H,2-16H2,1H3
InChIKeyZRIIGRGNKWTYNO-UHFFFAOYSA-N
MW331.59 g/mol
LogP6.32
Rot. Bonds2

About 8-cyclohexyl-4-cyclopentyl-2-methyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[b]azocine

8-cyclohexyl-4-cyclopentyl-2-methyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[b]azocine (PubChem CID 146520093) has the molecular formula C23H41N and a molecular weight of 331.59 g/mol. Its IUPAC name is 8-cyclohexyl-4-cyclopentyl-2-methyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[b]azocine.

Molecular Properties

Compound Name8-cyclohexyl-4-cyclopentyl-2-methyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[b]azocine
PubChem CID146520093
Molecular FormulaC23H41N
Molecular Weight331.59 g/mol
Exact Mass331.32
IUPAC Name8-cyclohexyl-4-cyclopentyl-2-methyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[b]azocine
SMILESCC1CC(C2CCCC2)CCC2CC(C3CCCCC3)CCC2N1
InChIInChI=1S/C23H41N/c1-17-15-20(18-9-5-6-10-18)11-12-22-16-21(13-14-23(22)24-17)19-7-3-2-4-8-19/h17-24H,2-16H2,1H3
InChIKeyZRIIGRGNKWTYNO-UHFFFAOYSA-N
XLogP6.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-cyclohexyl-4-cyclopentyl-2-methyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[b]azocine with MolForge

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Related Compounds

4,4'-Methylenebis[2-methyl-N-(1-methylpropyl)cyclohexanamine]
CID 21885475
2-(propan-2-yl)-N-[2-(propan-2-yl)cyclohexyl]cyclohexan-1-amine
CID 50986555
N-(2,4-dimethylcyclohexyl)-2,4-dimethylcyclohexan-1-amine
CID 64762914
4-pentan-2-yl-N-(4-pentan-2-ylcyclohexyl)cyclohexan-1-amine
CID 231062
4-propan-2-yl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine
CID 11832341
N,2-dimethyl-4-[[3-methyl-4-(methylamino)cyclohexyl]methyl]cyclohexan-1-amine
CID 20317241
N-butyl-4-[[4-(butylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
CID 21075998
2-cyclohexyl-N-pentylcyclohexan-1-amine
CID 43222547
4-[[4-(Butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
CID 59426592
N-butan-2-yl-4-[(3,4-dimethylcyclohexyl)methyl]-2-methylcyclohexan-1-amine
CID 59426593
4-methyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine
CID 63422793
N'-[bis(4-amino-3-methylcyclohexyl)methyl]hexane-1,6-diamine
CID 67235748

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-4-cyclopentyl-2-methyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[b]azocine?
The IUPAC name of 8-cyclohexyl-4-cyclopentyl-2-methyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[b]azocine (CID 146520093) is 8-cyclohexyl-4-cyclopentyl-2-methyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[b]azocine.
What is the SMILES notation for 8-cyclohexyl-4-cyclopentyl-2-methyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[b]azocine?
The canonical SMILES for 8-cyclohexyl-4-cyclopentyl-2-methyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[b]azocine is CC1CC(C2CCCC2)CCC2CC(C3CCCCC3)CCC2N1.
What is the InChIKey of 8-cyclohexyl-4-cyclopentyl-2-methyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[b]azocine?
The InChIKey is ZRIIGRGNKWTYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N/c1-17-15-20(18-9-5-6-10-18)11-12-22-16-21(13-14-23(22)24-17)19-7-3-2-4-8-19/h17-24H,2-16H2,1H3.
What are the key properties of 8-cyclohexyl-4-cyclopentyl-2-methyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[b]azocine?
8-cyclohexyl-4-cyclopentyl-2-methyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[b]azocine has a molecular weight of 331.59 g/mol, XLogP of 6.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-4-cyclopentyl-2-methyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrobenzo[b]azocine is sourced from PubChem (CID 146520093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).