(4-ethyl-2-octylcyclohexyl)methanamine

C17H35N — CID 81012449

IUPAC(4-ethyl-2-octylcyclohexyl)methanamine
SMILESCCCCCCCCC1CC(CC)CCC1CN
InChIInChI=1S/C17H35N/c1-3-5-6-7-8-9-10-16-13-15(4-2)11-12-17(16)14-18/h15-17H,3-14,18H2,1-2H3
InChIKeyPWAMQHKDXMNQFS-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.14
Rot. Bonds9

About (4-ethyl-2-octylcyclohexyl)methanamine

(4-ethyl-2-octylcyclohexyl)methanamine (PubChem CID 81012449) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is (4-ethyl-2-octylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-ethyl-2-octylcyclohexyl)methanamine
PubChem CID81012449
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name(4-ethyl-2-octylcyclohexyl)methanamine
SMILESCCCCCCCCC1CC(CC)CCC1CN
InChIInChI=1S/C17H35N/c1-3-5-6-7-8-9-10-16-13-15(4-2)11-12-17(16)14-18/h15-17H,3-14,18H2,1-2H3
InChIKeyPWAMQHKDXMNQFS-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-ethyl-2-octylcyclohexyl)methanamine 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 (4-ethyl-2-octylcyclohexyl)methanamine?
The IUPAC name of (4-ethyl-2-octylcyclohexyl)methanamine (CID 81012449) is (4-ethyl-2-octylcyclohexyl)methanamine.
What is the SMILES notation for (4-ethyl-2-octylcyclohexyl)methanamine?
The canonical SMILES for (4-ethyl-2-octylcyclohexyl)methanamine is CCCCCCCCC1CC(CC)CCC1CN.
What is the InChIKey of (4-ethyl-2-octylcyclohexyl)methanamine?
The InChIKey is PWAMQHKDXMNQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-3-5-6-7-8-9-10-16-13-15(4-2)11-12-17(16)14-18/h15-17H,3-14,18H2,1-2H3.
What are the key properties of (4-ethyl-2-octylcyclohexyl)methanamine?
(4-ethyl-2-octylcyclohexyl)methanamine has a molecular weight of 253.47 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-octylcyclohexyl)methanamine is sourced from PubChem (CID 81012449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).