1,4-dimethylazepan-4-ol

C8H17NO — CID 22967006

IUPAC1,4-dimethylazepan-4-ol
SMILESCN1CCCC(C)(O)CC1
InChIInChI=1S/C8H17NO/c1-8(10)4-3-6-9(2)7-5-8/h10H,3-7H2,1-2H3
InChIKeyBZUOZWXOQRVHDK-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds

About 1,4-dimethylazepan-4-ol

1,4-dimethylazepan-4-ol (PubChem CID 22967006) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1,4-dimethylazepan-4-ol.

Molecular Properties

Compound Name1,4-dimethylazepan-4-ol
PubChem CID22967006
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1,4-dimethylazepan-4-ol
SMILESCN1CCCC(C)(O)CC1
InChIInChI=1S/C8H17NO/c1-8(10)4-3-6-9(2)7-5-8/h10H,3-7H2,1-2H3
InChIKeyBZUOZWXOQRVHDK-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,4-dimethylazepan-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

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylazepan-4-ol?
The IUPAC name of 1,4-dimethylazepan-4-ol (CID 22967006) is 1,4-dimethylazepan-4-ol.
What is the SMILES notation for 1,4-dimethylazepan-4-ol?
The canonical SMILES for 1,4-dimethylazepan-4-ol is CN1CCCC(C)(O)CC1.
What is the InChIKey of 1,4-dimethylazepan-4-ol?
The InChIKey is BZUOZWXOQRVHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(10)4-3-6-9(2)7-5-8/h10H,3-7H2,1-2H3.
What are the key properties of 1,4-dimethylazepan-4-ol?
1,4-dimethylazepan-4-ol has a molecular weight of 143.23 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylazepan-4-ol is sourced from PubChem (CID 22967006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).