2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol

C13H27NO — CID 114495525

IUPAC2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol
SMILESCCC(C)(O)CN(C)C1CCCCC1C
InChIInChI=1S/C13H27NO/c1-5-13(3,15)10-14(4)12-9-7-6-8-11(12)2/h11-12,15H,5-10H2,1-4H3
InChIKeyDPKYLIHHMJIHBJ-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.66
Rot. Bonds4

About 2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol

2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol (PubChem CID 114495525) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol
PubChem CID114495525
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol
SMILESCCC(C)(O)CN(C)C1CCCCC1C
InChIInChI=1S/C13H27NO/c1-5-13(3,15)10-14(4)12-9-7-6-8-11(12)2/h11-12,15H,5-10H2,1-4H3
InChIKeyDPKYLIHHMJIHBJ-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-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

1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
CID 79811731
2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
CID 62260337
3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one
CID 66452296
N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
CID 62260508
1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine
CID 66453647
N'-methyl-N-(2-methylbutan-2-yl)-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 62558034
1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine
CID 66453429
2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol
CID 64827166
trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 59492154
2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid
CID 63911949
trans-(1R,2R)-2-[(2-hydroxy-2-methylpropyl)-methylamino]cyclohexan-1-ol
CID 104954571
N'-hydroxy-2-[methyl-(2-methylcyclohexyl)amino]ethanimidamide
CID 76912047

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol (CID 114495525) is 2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol is CCC(C)(O)CN(C)C1CCCCC1C.
What is the InChIKey of 2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol?
The InChIKey is DPKYLIHHMJIHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-13(3,15)10-14(4)12-9-7-6-8-11(12)2/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol?
2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol has a molecular weight of 213.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol is sourced from PubChem (CID 114495525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).