9,9-dipropyl-5,8-dihydro-4H-azecine

C15H25N — CID 70546472

IUPAC9,9-dipropyl-5,8-dihydro-4H-azecine
SMILESCCCC1(CCC)/C=N/C=CCCC=CC1
InChIInChI=1S/C15H25N/c1-3-10-15(11-4-2)12-8-6-5-7-9-13-16-14-15/h6,8-9,13-14H,3-5,7,10-12H2,1-2H3/b8-6?,13-9?,16-14+
InChIKeyWNZNHRMRXOXZHG-QABVFLJBSA-N
MW219.37 g/mol
LogP4.90
Rot. Bonds4

About 9,9-dipropyl-5,8-dihydro-4H-azecine

9,9-dipropyl-5,8-dihydro-4H-azecine (PubChem CID 70546472) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 9,9-dipropyl-5,8-dihydro-4H-azecine.

Molecular Properties

Compound Name9,9-dipropyl-5,8-dihydro-4H-azecine
PubChem CID70546472
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name9,9-dipropyl-5,8-dihydro-4H-azecine
SMILESCCCC1(CCC)/C=N/C=CCCC=CC1
InChIInChI=1S/C15H25N/c1-3-10-15(11-4-2)12-8-6-5-7-9-13-16-14-15/h6,8-9,13-14H,3-5,7,10-12H2,1-2H3/b8-6?,13-9?,16-14+
InChIKeyWNZNHRMRXOXZHG-QABVFLJBSA-N
XLogP4.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9,9-dipropyl-5,8-dihydro-4H-azecine 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 9,9-dipropyl-5,8-dihydro-4H-azecine?
The IUPAC name of 9,9-dipropyl-5,8-dihydro-4H-azecine (CID 70546472) is 9,9-dipropyl-5,8-dihydro-4H-azecine.
What is the SMILES notation for 9,9-dipropyl-5,8-dihydro-4H-azecine?
The canonical SMILES for 9,9-dipropyl-5,8-dihydro-4H-azecine is CCCC1(CCC)/C=N/C=CCCC=CC1.
What is the InChIKey of 9,9-dipropyl-5,8-dihydro-4H-azecine?
The InChIKey is WNZNHRMRXOXZHG-QABVFLJBSA-N. The full InChI is InChI=1S/C15H25N/c1-3-10-15(11-4-2)12-8-6-5-7-9-13-16-14-15/h6,8-9,13-14H,3-5,7,10-12H2,1-2H3/b8-6?,13-9?,16-14+.
What are the key properties of 9,9-dipropyl-5,8-dihydro-4H-azecine?
9,9-dipropyl-5,8-dihydro-4H-azecine has a molecular weight of 219.37 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dipropyl-5,8-dihydro-4H-azecine is sourced from PubChem (CID 70546472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).