4-nonyl-1-propylazepan-4-ol

C18H37NO — CID 65154307

IUPAC4-nonyl-1-propylazepan-4-ol
SMILESCCCCCCCCCC1(O)CCCN(CCC)CC1
InChIInChI=1S/C18H37NO/c1-3-5-6-7-8-9-10-12-18(20)13-11-16-19(15-4-2)17-14-18/h20H,3-17H2,1-2H3
InChIKeyCCQJMOISKODEGM-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.75
Rot. Bonds10

About 4-nonyl-1-propylazepan-4-ol

4-nonyl-1-propylazepan-4-ol (PubChem CID 65154307) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 4-nonyl-1-propylazepan-4-ol.

Molecular Properties

Compound Name4-nonyl-1-propylazepan-4-ol
PubChem CID65154307
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name4-nonyl-1-propylazepan-4-ol
SMILESCCCCCCCCCC1(O)CCCN(CCC)CC1
InChIInChI=1S/C18H37NO/c1-3-5-6-7-8-9-10-12-18(20)13-11-16-19(15-4-2)17-14-18/h20H,3-17H2,1-2H3
InChIKeyCCQJMOISKODEGM-UHFFFAOYSA-N
XLogP4.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-nonyl-1-propylazepan-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 4-nonyl-1-propylazepan-4-ol?
The IUPAC name of 4-nonyl-1-propylazepan-4-ol (CID 65154307) is 4-nonyl-1-propylazepan-4-ol.
What is the SMILES notation for 4-nonyl-1-propylazepan-4-ol?
The canonical SMILES for 4-nonyl-1-propylazepan-4-ol is CCCCCCCCCC1(O)CCCN(CCC)CC1.
What is the InChIKey of 4-nonyl-1-propylazepan-4-ol?
The InChIKey is CCQJMOISKODEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-5-6-7-8-9-10-12-18(20)13-11-16-19(15-4-2)17-14-18/h20H,3-17H2,1-2H3.
What are the key properties of 4-nonyl-1-propylazepan-4-ol?
4-nonyl-1-propylazepan-4-ol has a molecular weight of 283.50 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonyl-1-propylazepan-4-ol is sourced from PubChem (CID 65154307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).