4-methyl-1-pentan-2-ylazepan-4-ol

C12H25NO — CID 107886062

IUPAC4-methyl-1-pentan-2-ylazepan-4-ol
SMILESCCCC(C)N1CCCC(C)(O)CC1
InChIInChI=1S/C12H25NO/c1-4-6-11(2)13-9-5-7-12(3,14)8-10-13/h11,14H,4-10H2,1-3H3
InChIKeyRNUXJJXGCNYENY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds3

About 4-methyl-1-pentan-2-ylazepan-4-ol

4-methyl-1-pentan-2-ylazepan-4-ol (PubChem CID 107886062) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-methyl-1-pentan-2-ylazepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-pentan-2-ylazepan-4-ol
PubChem CID107886062
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-methyl-1-pentan-2-ylazepan-4-ol
SMILESCCCC(C)N1CCCC(C)(O)CC1
InChIInChI=1S/C12H25NO/c1-4-6-11(2)13-9-5-7-12(3,14)8-10-13/h11,14H,4-10H2,1-3H3
InChIKeyRNUXJJXGCNYENY-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 4-methyl-1-pentan-2-ylazepan-4-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-methoxypropan-2-yl)-4-methylazepan-4-ol
CID 107408062
3,3-dimethyl-1-pentan-2-ylpiperidine
CID 59678340
methyl 3-(4-hydroxy-4-methylazepan-1-yl)butanoate
CID 107405180
1-(3-hydroxybutan-2-yl)-4-methylazepan-4-ol
CID 107407212
ethyl 2-(4-hydroxy-4-methylazepan-1-yl)butanoate
CID 107405138
4-pentan-2-ylthiomorpholine
CID 127402640
3-methyl-1-propan-2-ylpiperidin-3-ol
CID 69087871
2-pentan-2-yl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 105400806
3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid
CID 65069025
4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine
CID 65286715
9-methyl-2-pentan-2-yl-2,9-diazaspiro[5.5]undecane
CID 126759798
1-(3-amino-1,1,1-trifluoropropan-2-yl)-4-methylazepan-4-ol
CID 107403813

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pentan-2-ylazepan-4-ol?
The IUPAC name of 4-methyl-1-pentan-2-ylazepan-4-ol (CID 107886062) is 4-methyl-1-pentan-2-ylazepan-4-ol.
What is the SMILES notation for 4-methyl-1-pentan-2-ylazepan-4-ol?
The canonical SMILES for 4-methyl-1-pentan-2-ylazepan-4-ol is CCCC(C)N1CCCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-pentan-2-ylazepan-4-ol?
The InChIKey is RNUXJJXGCNYENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-6-11(2)13-9-5-7-12(3,14)8-10-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 4-methyl-1-pentan-2-ylazepan-4-ol?
4-methyl-1-pentan-2-ylazepan-4-ol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pentan-2-ylazepan-4-ol is sourced from PubChem (CID 107886062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).