2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine

C31H53N — CID 174180345

IUPAC2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine
SMILESCC(CC1CCCCC1N)C1CCC2CCC(C3CCC(C4CCCCC4)CC3)=CC2C1
InChIInChI=1S/C31H53N/c1-22(19-29-9-5-6-10-31(29)32)27-17-15-26-16-18-28(21-30(26)20-27)25-13-11-24(12-14-25)23-7-3-2-4-8-23/h21-27,29-31H,2-20,32H2,1H3
InChIKeyOAAJMXUZCOWAPE-UHFFFAOYSA-N
MW439.77 g/mol
LogP8.67
Rot. Bonds5

About 2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine

2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine (PubChem CID 174180345) has the molecular formula C31H53N and a molecular weight of 439.77 g/mol. Its IUPAC name is 2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine
PubChem CID174180345
Molecular FormulaC31H53N
Molecular Weight439.77 g/mol
Exact Mass439.42
IUPAC Name2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine
SMILESCC(CC1CCCCC1N)C1CCC2CCC(C3CCC(C4CCCCC4)CC3)=CC2C1
InChIInChI=1S/C31H53N/c1-22(19-29-9-5-6-10-31(29)32)27-17-15-26-16-18-28(21-30(26)20-27)25-13-11-24(12-14-25)23-7-3-2-4-8-23/h21-27,29-31H,2-20,32H2,1H3
InChIKeyOAAJMXUZCOWAPE-UHFFFAOYSA-N
XLogP8.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.77
LogP ≤ 58.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

3-cycloheptylcyclopent-2-en-1-amine
CID 82925386
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine
CID 83906614
trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine
CID 22853538
(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
N-(2-cyclopropylpropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 115592687
7-propan-2-yloxy-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 123342479
3-cyclohexylcyclohex-2-en-1-amine
CID 65171950
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 102728306
N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine
CID 81387835
N-[(1R)-1-cycloheptylethyl]-3-cyclopropylcyclohexan-1-amine
CID 81392588
1-cyclohexyl-2,3-difluoro-4-[2-[4-(2-fluoro-4-iodocyclohexyl)cyclohexyl]propyl]cyclohexane
CID 90436930
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine
CID 114410885

Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine?
The IUPAC name of 2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine (CID 174180345) is 2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine?
The canonical SMILES for 2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine is CC(CC1CCCCC1N)C1CCC2CCC(C3CCC(C4CCCCC4)CC3)=CC2C1.
What is the InChIKey of 2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine?
The InChIKey is OAAJMXUZCOWAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H53N/c1-22(19-29-9-5-6-10-31(29)32)27-17-15-26-16-18-28(21-30(26)20-27)25-13-11-24(12-14-25)23-7-3-2-4-8-23/h21-27,29-31H,2-20,32H2,1H3.
What are the key properties of 2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine?
2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine has a molecular weight of 439.77 g/mol, XLogP of 8.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl]propyl]cyclohexan-1-amine is sourced from PubChem (CID 174180345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).