2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol

C13H27NO — CID 103952729

IUPAC2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol
SMILESCC1CCCC(NC(C)(C)C(C)(C)O)C1
InChIInChI=1S/C13H27NO/c1-10-7-6-8-11(9-10)14-12(2,3)13(4,5)15/h10-11,14-15H,6-9H2,1-5H3
InChIKeyGQOQXMJHAHOVQB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.70
Rot. Bonds3

About 2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol

2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol (PubChem CID 103952729) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol
PubChem CID103952729
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol
SMILESCC1CCCC(NC(C)(C)C(C)(C)O)C1
InChIInChI=1S/C13H27NO/c1-10-7-6-8-11(9-10)14-12(2,3)13(4,5)15/h10-11,14-15H,6-9H2,1-5H3
InChIKeyGQOQXMJHAHOVQB-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,5-dimethylcyclohexyl)amino]-2,3-dimethylbutan-2-ol
CID 106185254
N-(2-cyclopropylpropan-2-yl)-3-methylcyclohexan-1-amine
CID 103923064
2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol
CID 103993526
2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol
CID 93346375
3-methyl-3-[(3-methylcyclohexyl)amino]pentan-1-ol
CID 115908227
N,3-dimethylcyclohexan-1-amine
CID 16771259
trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
CID 99646097
N,3-dimethylcyclohexan-1-amine;hydrochloride
CID 45286057
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
(3-methylcyclohexyl)carbamic acid
CID 67410451
3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine
CID 115907245
4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol
CID 103699567

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol (CID 103952729) is 2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol is CC1CCCC(NC(C)(C)C(C)(C)O)C1.
What is the InChIKey of 2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol?
The InChIKey is GQOQXMJHAHOVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10-7-6-8-11(9-10)14-12(2,3)13(4,5)15/h10-11,14-15H,6-9H2,1-5H3.
What are the key properties of 2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol?
2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[(3-methylcyclohexyl)amino]butan-2-ol is sourced from PubChem (CID 103952729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).