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

C12H25NO — CID 61446730

IUPAC1-[cyclohexylmethyl(methyl)amino]butan-2-ol
SMILESCCC(O)CN(C)CC1CCCCC1
InChIInChI=1S/C12H25NO/c1-3-12(14)10-13(2)9-11-7-5-4-6-8-11/h11-12,14H,3-10H2,1-2H3
InChIKeySUEPFKNXAVPQLO-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds5

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

1-[cyclohexylmethyl(methyl)amino]butan-2-ol (PubChem CID 61446730) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[cyclohexylmethyl(methyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[cyclohexylmethyl(methyl)amino]butan-2-ol
PubChem CID61446730
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-[cyclohexylmethyl(methyl)amino]butan-2-ol
SMILESCCC(O)CN(C)CC1CCCCC1
InChIInChI=1S/C12H25NO/c1-3-12(14)10-13(2)9-11-7-5-4-6-8-11/h11-12,14H,3-10H2,1-2H3
InChIKeySUEPFKNXAVPQLO-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[cyclohexylmethyl(methyl)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-[cyclopentylmethyl(methyl)amino]butan-2-ol
CID 63631897
3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol
CID 82851087
1-chloro-3-[cyclohexylmethyl(methyl)amino]propan-2-ol
CID 112561400
1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 63713835
2-[cyclohexylmethyl(methyl)amino]-1-cyclopropylethanol
CID 63906781
1-[cyclobutylmethyl(methyl)amino]-3-(methylamino)propan-2-ol
CID 62860043
1-[cyclooctyl(methyl)amino]butan-2-ol
CID 130316324
1-[cyclopropylmethyl(methyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 60983945
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide
CID 111437433
1-[cyclopentylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317593
1-N-(cyclopentylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63631754

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexylmethyl(methyl)amino]butan-2-ol?
The IUPAC name of 1-[cyclohexylmethyl(methyl)amino]butan-2-ol (CID 61446730) is 1-[cyclohexylmethyl(methyl)amino]butan-2-ol.
What is the SMILES notation for 1-[cyclohexylmethyl(methyl)amino]butan-2-ol?
The canonical SMILES for 1-[cyclohexylmethyl(methyl)amino]butan-2-ol is CCC(O)CN(C)CC1CCCCC1.
What is the InChIKey of 1-[cyclohexylmethyl(methyl)amino]butan-2-ol?
The InChIKey is SUEPFKNXAVPQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-12(14)10-13(2)9-11-7-5-4-6-8-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-[cyclohexylmethyl(methyl)amino]butan-2-ol?
1-[cyclohexylmethyl(methyl)amino]butan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexylmethyl(methyl)amino]butan-2-ol is sourced from PubChem (CID 61446730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).