2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine

C18H37N — CID 55187488

IUPAC2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCCC(CC)CC1CC(CCC)CCC1NC
InChIInChI=1S/C18H37N/c1-5-8-10-15(7-3)13-17-14-16(9-6-2)11-12-18(17)19-4/h15-19H,5-14H2,1-4H3
InChIKeyIRPVYMLBTHRQHQ-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.40
Rot. Bonds9

About 2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine

2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 55187488) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine
PubChem CID55187488
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCCC(CC)CC1CC(CCC)CCC1NC
InChIInChI=1S/C18H37N/c1-5-8-10-15(7-3)13-17-14-16(9-6-2)11-12-18(17)19-4/h15-19H,5-14H2,1-4H3
InChIKeyIRPVYMLBTHRQHQ-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-ethylhexyl)-N-methyl-4-propylcyclohexan-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

Related Compounds

2-(2-ethylhexyl)-N-methylcyclopentan-1-amine
CID 63400350
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681
2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine
CID 82929498
N-methyl-2-(3-methylbutyl)-4-propylcyclohexan-1-amine
CID 63403456
2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 62616762
1-bromo-4-ethyl-2-(2-ethylhexyl)cyclohexane
CID 63472984
N-methyl-2-[[methyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093934
N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine
CID 82935925
N-(2-ethylhexyl)-4-propylcyclohexan-1-amine
CID 43080495
3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64908358
N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727245

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine (CID 55187488) is 2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine is CCCCC(CC)CC1CC(CCC)CCC1NC.
What is the InChIKey of 2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine?
The InChIKey is IRPVYMLBTHRQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-5-8-10-15(7-3)13-17-14-16(9-6-2)11-12-18(17)19-4/h15-19H,5-14H2,1-4H3.
What are the key properties of 2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine?
2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-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-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 55187488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).