6-(4-cyclohexylcyclohexyl)naphthalen-2-amine

C22H29N — CID 59915736

IUPAC6-(4-cyclohexylcyclohexyl)naphthalen-2-amine
SMILESNc1ccc2cc(C3CCC(C4CCCCC4)CC3)ccc2c1
InChIInChI=1S/C22H29N/c23-22-13-12-20-14-19(10-11-21(20)15-22)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h10-18H,1-9,23H2
InChIKeyBJDBPTIWAJDHBX-UHFFFAOYSA-N
MW307.48 g/mol
LogP6.28
Rot. Bonds2

About 6-(4-cyclohexylcyclohexyl)naphthalen-2-amine

6-(4-cyclohexylcyclohexyl)naphthalen-2-amine (PubChem CID 59915736) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is 6-(4-cyclohexylcyclohexyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-(4-cyclohexylcyclohexyl)naphthalen-2-amine
PubChem CID59915736
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name6-(4-cyclohexylcyclohexyl)naphthalen-2-amine
SMILESNc1ccc2cc(C3CCC(C4CCCCC4)CC3)ccc2c1
InChIInChI=1S/C22H29N/c23-22-13-12-20-14-19(10-11-21(20)15-22)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h10-18H,1-9,23H2
InChIKeyBJDBPTIWAJDHBX-UHFFFAOYSA-N
XLogP6.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(4-cyclohexylcyclohexyl)naphthalen-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexylcyclohexyl)naphthalen-2-amine?
The IUPAC name of 6-(4-cyclohexylcyclohexyl)naphthalen-2-amine (CID 59915736) is 6-(4-cyclohexylcyclohexyl)naphthalen-2-amine.
What is the SMILES notation for 6-(4-cyclohexylcyclohexyl)naphthalen-2-amine?
The canonical SMILES for 6-(4-cyclohexylcyclohexyl)naphthalen-2-amine is Nc1ccc2cc(C3CCC(C4CCCCC4)CC3)ccc2c1.
What is the InChIKey of 6-(4-cyclohexylcyclohexyl)naphthalen-2-amine?
The InChIKey is BJDBPTIWAJDHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N/c23-22-13-12-20-14-19(10-11-21(20)15-22)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h10-18H,1-9,23H2.
What are the key properties of 6-(4-cyclohexylcyclohexyl)naphthalen-2-amine?
6-(4-cyclohexylcyclohexyl)naphthalen-2-amine has a molecular weight of 307.48 g/mol, XLogP of 6.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexylcyclohexyl)naphthalen-2-amine is sourced from PubChem (CID 59915736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).