3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol

C14H29NO — CID 106185254

IUPAC3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol
SMILESCC1CC(C)CC(NC(C)(C)C(C)(C)O)C1
InChIInChI=1S/C14H29NO/c1-10-7-11(2)9-12(8-10)15-13(3,4)14(5,6)16/h10-12,15-16H,7-9H2,1-6H3
InChIKeyRWYGYAVEMWBBJQ-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds3

About 3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol

3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 106185254) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol
PubChem CID106185254
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol
SMILESCC1CC(C)CC(NC(C)(C)C(C)(C)O)C1
InChIInChI=1S/C14H29NO/c1-10-7-11(2)9-12(8-10)15-13(3,4)14(5,6)16/h10-12,15-16H,7-9H2,1-6H3
InChIKeyRWYGYAVEMWBBJQ-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol
CID 103952729
2-[(3,5-dimethylcyclohexyl)amino]-2-methylpropan-1-ol
CID 64724437
N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethylcyclohexan-1-amine
CID 130659104
3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106184974
3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine
CID 115751638
2-[(3,5-dimethylcyclohexyl)amino]-2-methylpentanoic acid
CID 64728456
2-[(3,5-dimethylcyclohexyl)amino]-2-phenylpropan-1-ol
CID 115907198
2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide
CID 114329140
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 103895464
1-(cyclopropylamino)-3-(3,5-dimethylcyclohexyl)oxy-2-methylpropan-2-ol
CID 66335664
2-[(3,5-dimethylcyclohexyl)amino]ethanol
CID 64723200
3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 64731743

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol (CID 106185254) is 3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol is CC1CC(C)CC(NC(C)(C)C(C)(C)O)C1.
What is the InChIKey of 3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is RWYGYAVEMWBBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-10-7-11(2)9-12(8-10)15-13(3,4)14(5,6)16/h10-12,15-16H,7-9H2,1-6H3.
What are the key properties of 3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol?
3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106185254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).