2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine

C18H37N — CID 82929498

IUPAC2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine
SMILESCCCNC1CCC(CCC)CC1CC(CC)CC
InChIInChI=1S/C18H37N/c1-5-9-16-10-11-18(19-12-6-2)17(14-16)13-15(7-3)8-4/h15-19H,5-14H2,1-4H3
InChIKeyJIOPEFDGWSUSIS-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.40
Rot. Bonds9

About 2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine

2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine (PubChem CID 82929498) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine
PubChem CID82929498
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine
SMILESCCCNC1CCC(CCC)CC1CC(CC)CC
InChIInChI=1S/C18H37N/c1-5-9-16-10-11-18(19-12-6-2)17(14-16)13-15(7-3)8-4/h15-19H,5-14H2,1-4H3
InChIKeyJIOPEFDGWSUSIS-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-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 2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine?
The IUPAC name of 2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine (CID 82929498) is 2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine?
The canonical SMILES for 2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine is CCCNC1CCC(CCC)CC1CC(CC)CC.
What is the InChIKey of 2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine?
The InChIKey is JIOPEFDGWSUSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-5-9-16-10-11-18(19-12-6-2)17(14-16)13-15(7-3)8-4/h15-19H,5-14H2,1-4H3.
What are the key properties of 2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine?
2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine is sourced from PubChem (CID 82929498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).