4-heptyl-1-propylazepan-4-ol

C16H33NO — CID 65153884

IUPAC4-heptyl-1-propylazepan-4-ol
SMILESCCCCCCCC1(O)CCCN(CCC)CC1
InChIInChI=1S/C16H33NO/c1-3-5-6-7-8-10-16(18)11-9-14-17(13-4-2)15-12-16/h18H,3-15H2,1-2H3
InChIKeyHSNZXPKNBNHVFP-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.97
Rot. Bonds8

About 4-heptyl-1-propylazepan-4-ol

4-heptyl-1-propylazepan-4-ol (PubChem CID 65153884) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-heptyl-1-propylazepan-4-ol.

Molecular Properties

Compound Name4-heptyl-1-propylazepan-4-ol
PubChem CID65153884
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-heptyl-1-propylazepan-4-ol
SMILESCCCCCCCC1(O)CCCN(CCC)CC1
InChIInChI=1S/C16H33NO/c1-3-5-6-7-8-10-16(18)11-9-14-17(13-4-2)15-12-16/h18H,3-15H2,1-2H3
InChIKeyHSNZXPKNBNHVFP-UHFFFAOYSA-N
XLogP3.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-heptyl-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-heptyl-1-propylazepan-4-ol?
The IUPAC name of 4-heptyl-1-propylazepan-4-ol (CID 65153884) is 4-heptyl-1-propylazepan-4-ol.
What is the SMILES notation for 4-heptyl-1-propylazepan-4-ol?
The canonical SMILES for 4-heptyl-1-propylazepan-4-ol is CCCCCCCC1(O)CCCN(CCC)CC1.
What is the InChIKey of 4-heptyl-1-propylazepan-4-ol?
The InChIKey is HSNZXPKNBNHVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-3-5-6-7-8-10-16(18)11-9-14-17(13-4-2)15-12-16/h18H,3-15H2,1-2H3.
What are the key properties of 4-heptyl-1-propylazepan-4-ol?
4-heptyl-1-propylazepan-4-ol has a molecular weight of 255.45 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-1-propylazepan-4-ol is sourced from PubChem (CID 65153884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).