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

C12H25NO — CID 114492990

IUPAC2-methyl-1-[(1-methylcyclohexyl)amino]butan-2-ol
SMILESCCC(C)(O)CNC1(C)CCCCC1
InChIInChI=1S/C12H25NO/c1-4-12(3,14)10-13-11(2)8-6-5-7-9-11/h13-14H,4-10H2,1-3H3
InChIKeyWUGQLDRTHVWATB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.46
Rot. Bonds4

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

2-methyl-1-[(1-methylcyclohexyl)amino]butan-2-ol (PubChem CID 114492990) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylcyclohexyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(1-methylcyclohexyl)amino]butan-2-ol
PubChem CID114492990
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-methyl-1-[(1-methylcyclohexyl)amino]butan-2-ol
SMILESCCC(C)(O)CNC1(C)CCCCC1
InChIInChI=1S/C12H25NO/c1-4-12(3,14)10-13-11(2)8-6-5-7-9-11/h13-14H,4-10H2,1-3H3
InChIKeyWUGQLDRTHVWATB-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-N-(1-methylcyclohexyl)butane-1,2-diamine
CID 79812479
2,2-dimethyl-3-[(1-methylcyclopentyl)amino]propan-1-ol
CID 81411755
2-methyl-4-[(1-methylcyclohexyl)amino]butan-2-ol
CID 79361918
1-[(2-hydroxy-2-methylbutyl)amino]cyclobutane-1-carboxylic acid
CID 114495075
N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide
CID 79040016
2-methyl-4-[(1-methylcyclopentyl)amino]butan-2-ol
CID 79359592
1-[(1-methylcyclopentyl)amino]-2-phenylpropan-2-ol
CID 62373186
1-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 65108421
1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine
CID 66046891
2-methyl-1-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
CID 115400209
2-methyl-1-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-2-ol
CID 65108207
1-(2-hydroxy-2-methylbutyl)cycloheptane-1-carboxylic acid
CID 114497614

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylcyclohexyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[(1-methylcyclohexyl)amino]butan-2-ol (CID 114492990) is 2-methyl-1-[(1-methylcyclohexyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[(1-methylcyclohexyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[(1-methylcyclohexyl)amino]butan-2-ol is CCC(C)(O)CNC1(C)CCCCC1.
What is the InChIKey of 2-methyl-1-[(1-methylcyclohexyl)amino]butan-2-ol?
The InChIKey is WUGQLDRTHVWATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-12(3,14)10-13-11(2)8-6-5-7-9-11/h13-14H,4-10H2,1-3H3.
What are the key properties of 2-methyl-1-[(1-methylcyclohexyl)amino]butan-2-ol?
2-methyl-1-[(1-methylcyclohexyl)amino]butan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylcyclohexyl)amino]butan-2-ol is sourced from PubChem (CID 114492990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).