2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol

C17H36N2O — CID 64827999

IUPAC2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)N(C)C1CCC(C)CC1
InChIInChI=1S/C17H36N2O/c1-6-11-18-17(4,13-20)12-15(3)19(5)16-9-7-14(2)8-10-16/h14-16,18,20H,6-13H2,1-5H3
InChIKeyYYMAALFEYFHZQR-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.03
Rot. Bonds8

About 2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol

2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol (PubChem CID 64827999) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol
PubChem CID64827999
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)N(C)C1CCC(C)CC1
InChIInChI=1S/C17H36N2O/c1-6-11-18-17(4,13-20)12-15(3)19(5)16-9-7-14(2)8-10-16/h14-16,18,20H,6-13H2,1-5H3
InChIKeyYYMAALFEYFHZQR-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol 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-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentan-1-ol
CID 64825627
2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol
CID 64827792
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64792229
3-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64798088
1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol
CID 64819349
2-(cyclopropylamino)-2-methyl-4-[methyl-(1-methylpiperidin-4-yl)amino]pentan-1-ol
CID 64798033
2-methyl-2-(methylamino)-4-[methyl-(4-methylcyclohexyl)amino]pentanamide
CID 64709356
4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64806975
2-methyl-4-(2-methylazepan-1-yl)-2-(propylamino)pentan-1-ol
CID 64792241
2-methyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64798662
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol
CID 104961364
2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol
CID 107764599

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol (CID 64827999) is 2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CC(C)N(C)C1CCC(C)CC1.
What is the InChIKey of 2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol?
The InChIKey is YYMAALFEYFHZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-11-18-17(4,13-20)12-15(3)19(5)16-9-7-14(2)8-10-16/h14-16,18,20H,6-13H2,1-5H3.
What are the key properties of 2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol?
2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol has a molecular weight of 284.49 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64827999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).