3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol

C18H37NO — CID 79491996

IUPAC3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC(CC)N(CC(C)C)CC1C(C)CC(C)CC1O
InChIInChI=1S/C18H37NO/c1-7-16(8-2)19(11-13(3)4)12-17-15(6)9-14(5)10-18(17)20/h13-18,20H,7-12H2,1-6H3
InChIKeyZBHDVRUDFKGKTI-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.18
Rot. Bonds7

About 3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol

3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 79491996) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
PubChem CID79491996
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC(CC)N(CC(C)C)CC1C(C)CC(C)CC1O
InChIInChI=1S/C18H37NO/c1-7-16(8-2)19(11-13(3)4)12-17-15(6)9-14(5)10-18(17)20/h13-18,20H,7-12H2,1-6H3
InChIKeyZBHDVRUDFKGKTI-UHFFFAOYSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-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-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
CID 107871197
3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol
CID 79483325
N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 64734674
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64736657
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
CID 103935251
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylcyclohexan-1-ol
CID 64736474
3,5-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 64736070
N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine
CID 104870302
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
CID 64735879
3,5-dimethyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclohexan-1-ol
CID 64736267
2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191408

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol (CID 79491996) is 3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol is CCC(CC)N(CC(C)C)CC1C(C)CC(C)CC1O.
What is the InChIKey of 3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is ZBHDVRUDFKGKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-7-16(8-2)19(11-13(3)4)12-17-15(6)9-14(5)10-18(17)20/h13-18,20H,7-12H2,1-6H3.
What are the key properties of 3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol?
3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 283.50 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79491996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).