1-(azepan-1-yl)-2-methylpentan-2-ol

C12H25NO — CID 106291182

IUPAC1-(azepan-1-yl)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CN1CCCCCC1
InChIInChI=1S/C12H25NO/c1-3-8-12(2,14)11-13-9-6-4-5-7-10-13/h14H,3-11H2,1-2H3
InChIKeyHTBVOKPMQASSMV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds4

About 1-(azepan-1-yl)-2-methylpentan-2-ol

1-(azepan-1-yl)-2-methylpentan-2-ol (PubChem CID 106291182) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-methylpentan-2-ol
PubChem CID106291182
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(azepan-1-yl)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CN1CCCCCC1
InChIInChI=1S/C12H25NO/c1-3-8-12(2,14)11-13-9-6-4-5-7-10-13/h14H,3-11H2,1-2H3
InChIKeyHTBVOKPMQASSMV-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(azepan-1-yl)-2-methylpentan-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-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-2-ol
CID 106291187
1-(2,5-dihydropyrrol-1-yl)-2-methylpentan-2-ol
CID 106291203
1-(dimethylamino)-2-methyl-3-piperidin-1-ylpropan-2-ol
CID 106146302
2-methyl-2-(piperidin-1-ylmethyl)pentanoic acid
CID 62270634
2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine
CID 62262452
1-(2,2-dimethylpropyl)azocane
CID 131007399
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496
1-(2,2-dimethylpropyl)piperidine;ethane
CID 162156975
2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol
CID 114495323
N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62261563
3-(azepan-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64795636
2-methyl-N-(2-methylpropyl)-2-(piperidin-1-ylmethyl)pentan-1-amine
CID 62264125

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-methylpentan-2-ol?
The IUPAC name of 1-(azepan-1-yl)-2-methylpentan-2-ol (CID 106291182) is 1-(azepan-1-yl)-2-methylpentan-2-ol.
What is the SMILES notation for 1-(azepan-1-yl)-2-methylpentan-2-ol?
The canonical SMILES for 1-(azepan-1-yl)-2-methylpentan-2-ol is CCCC(C)(O)CN1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-methylpentan-2-ol?
The InChIKey is HTBVOKPMQASSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-8-12(2,14)11-13-9-6-4-5-7-10-13/h14H,3-11H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-2-methylpentan-2-ol?
1-(azepan-1-yl)-2-methylpentan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-methylpentan-2-ol is sourced from PubChem (CID 106291182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).