2-methyl-1-azacycloheptadec-9-ene

C17H33N — CID 54271463

IUPAC2-methyl-1-azacycloheptadec-9-ene
SMILESCC1CCCCCCC=CCCCCCCCN1
InChIInChI=1S/C17H33N/c1-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-17/h2-3,17-18H,4-16H2,1H3
InChIKeyRKKZOHYVIAAMEJ-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.22
Rot. Bonds

About 2-methyl-1-azacycloheptadec-9-ene

2-methyl-1-azacycloheptadec-9-ene (PubChem CID 54271463) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-methyl-1-azacycloheptadec-9-ene.

Molecular Properties

Compound Name2-methyl-1-azacycloheptadec-9-ene
PubChem CID54271463
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2-methyl-1-azacycloheptadec-9-ene
SMILESCC1CCCCCCC=CCCCCCCCN1
InChIInChI=1S/C17H33N/c1-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-17/h2-3,17-18H,4-16H2,1H3
InChIKeyRKKZOHYVIAAMEJ-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-1-azacycloheptadec-9-ene 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 2-methyl-1-azacycloheptadec-9-ene?
The IUPAC name of 2-methyl-1-azacycloheptadec-9-ene (CID 54271463) is 2-methyl-1-azacycloheptadec-9-ene.
What is the SMILES notation for 2-methyl-1-azacycloheptadec-9-ene?
The canonical SMILES for 2-methyl-1-azacycloheptadec-9-ene is CC1CCCCCCC=CCCCCCCCN1.
What is the InChIKey of 2-methyl-1-azacycloheptadec-9-ene?
The InChIKey is RKKZOHYVIAAMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-17/h2-3,17-18H,4-16H2,1H3.
What are the key properties of 2-methyl-1-azacycloheptadec-9-ene?
2-methyl-1-azacycloheptadec-9-ene has a molecular weight of 251.46 g/mol, XLogP of 5.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-azacycloheptadec-9-ene is sourced from PubChem (CID 54271463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).