2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol

C18H38N2O — CID 64735248

IUPAC2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol
SMILESCCCCN(CCO)CC1C(C)CC(C)CC1NCCC
InChIInChI=1S/C18H38N2O/c1-5-7-9-20(10-11-21)14-17-16(4)12-15(3)13-18(17)19-8-6-2/h15-19,21H,5-14H2,1-4H3
InChIKeyAUAUOXVAPPGQPG-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.13
Rot. Bonds10

About 2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol

2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol (PubChem CID 64735248) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol
PubChem CID64735248
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol
SMILESCCCCN(CCO)CC1C(C)CC(C)CC1NCCC
InChIInChI=1S/C18H38N2O/c1-5-7-9-20(10-11-21)14-17-16(4)12-15(3)13-18(17)19-8-6-2/h15-19,21H,5-14H2,1-4H3
InChIKeyAUAUOXVAPPGQPG-UHFFFAOYSA-N
XLogP3.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol 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-[[butyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64735419
2-[ethyl-[[2-(ethylamino)-4,6-dimethylcyclohexyl]methyl]amino]ethanol
CID 64735434
2-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 64736620
2-[[cyclopropylmethyl(ethyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736455
2-[[bis(prop-2-enyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64737206
2-[[ethyl(methyl)amino]methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736412
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64736657
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735424
2-N-butyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724621
2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724626
2-[(3,5-dimethylpiperidin-1-yl)methyl]-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736014
2-[[butyl(ethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735421

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol (CID 64735248) is 2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol is CCCCN(CCO)CC1C(C)CC(C)CC1NCCC.
What is the InChIKey of 2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol?
The InChIKey is AUAUOXVAPPGQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-5-7-9-20(10-11-21)14-17-16(4)12-15(3)13-18(17)19-8-6-2/h15-19,21H,5-14H2,1-4H3.
What are the key properties of 2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol?
2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol has a molecular weight of 298.51 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[[2,4-dimethyl-6-(propylamino)cyclohexyl]methyl]amino]ethanol is sourced from PubChem (CID 64735248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).