[1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol

C19H39NO — CID 107871199

IUPAC[1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol
SMILESCC(C)CCN(CCC(C)C)CC1(CO)CCCC(C)C1
InChIInChI=1S/C19H39NO/c1-16(2)8-11-20(12-9-17(3)4)14-19(15-21)10-6-7-18(5)13-19/h16-18,21H,6-15H2,1-5H3
InChIKeyKFHVQIRPSCNBCV-UHFFFAOYSA-N
MW297.53 g/mol
LogP4.57
Rot. Bonds9

About [1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol

[1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol (PubChem CID 107871199) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is [1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol
PubChem CID107871199
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name[1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol
SMILESCC(C)CCN(CCC(C)C)CC1(CO)CCCC(C)C1
InChIInChI=1S/C19H39NO/c1-16(2)8-11-20(12-9-17(3)4)14-19(15-21)10-6-7-18(5)13-19/h16-18,21H,6-15H2,1-5H3
InChIKeyKFHVQIRPSCNBCV-UHFFFAOYSA-N
XLogP4.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol 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-[2,2-difluoroethyl-[[1-(hydroxymethyl)-3-methylcyclohexyl]methyl]amino]ethanol
CID 107487176
[1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol
CID 102997292
[3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol
CID 81074444
[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 81074798
[1-[[bis(2-methylpropyl)amino]methyl]cyclopentyl]methanol
CID 62270231
4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol
CID 113499916
cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane
CID 121406278
2-[(3R)-1-(2-hydroxyethyl)-3-methylcyclohexyl]ethanol
CID 168973967
2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol
CID 102871050
1,1-diethyl-3-methylcyclohexane
CID 19090157
N-ethyl-2-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]butan-1-amine
CID 79480266
[1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentyl]methanol
CID 62266509

Frequently Asked Questions

What is the IUPAC name of [1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol (CID 107871199) is [1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol is CC(C)CCN(CCC(C)C)CC1(CO)CCCC(C)C1.
What is the InChIKey of [1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol?
The InChIKey is KFHVQIRPSCNBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-16(2)8-11-20(12-9-17(3)4)14-19(15-21)10-6-7-18(5)13-19/h16-18,21H,6-15H2,1-5H3.
What are the key properties of [1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol?
[1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol has a molecular weight of 297.53 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 107871199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).