2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol

C12H25NO — CID 79361747

IUPAC2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol
SMILESCC1CCCCC1NCCC(C)(C)O
InChIInChI=1S/C12H25NO/c1-10-6-4-5-7-11(10)13-9-8-12(2,3)14/h10-11,13-14H,4-9H2,1-3H3
InChIKeyFBDQTCGRVPDGJN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds4

About 2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol

2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol (PubChem CID 79361747) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol
PubChem CID79361747
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol
SMILESCC1CCCCC1NCCC(C)(C)O
InChIInChI=1S/C12H25NO/c1-10-6-4-5-7-11(10)13-9-8-12(2,3)14/h10-11,13-14H,4-9H2,1-3H3
InChIKeyFBDQTCGRVPDGJN-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-[(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

N'-hydroxy-2,2-dimethyl-4-[(2-methylcycloheptyl)amino]butanimidamide
CID 77073748
2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine
CID 112589213
ethanol;2-methyl-N-propylcycloheptan-1-amine
CID 71071730
2-methyl-1-[(2-methylcycloheptyl)amino]butan-2-ol
CID 114493275
tert-butyl 3-[[(1S,2S)-2-methylcyclohexyl]amino]propanoate
CID 94133529
N-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide
CID 112688523
6-[(2-methylcyclopentyl)amino]hexan-1-ol
CID 115906759
(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol
CID 96784141
ethanol;2-methyl-N-propylcyclopentan-1-amine
CID 89249243
2,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
CID 66178990
N-(2-tert-butylsulfanylethyl)-2-methylcyclopentan-1-amine
CID 115689067
2-(3,3-dimethylbutylamino)cyclohexan-1-ol
CID 62359482

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol (CID 79361747) is 2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol is CC1CCCCC1NCCC(C)(C)O.
What is the InChIKey of 2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol?
The InChIKey is FBDQTCGRVPDGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10-6-4-5-7-11(10)13-9-8-12(2,3)14/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol?
2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol is sourced from PubChem (CID 79361747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).