(9E)-2-methyl-1-azacycloheptadec-9-ene

C17H33N — CID 22627816

IUPAC(9E)-2-methyl-1-azacycloheptadec-9-ene
SMILESCC1CCCCCC/C=C/CCCCCCCN1
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/b3-2+
InChIKeyRKKZOHYVIAAMEJ-NSCUHMNNSA-N
MW251.46 g/mol
LogP5.22
Rot. Bonds

About (9E)-2-methyl-1-azacycloheptadec-9-ene

(9E)-2-methyl-1-azacycloheptadec-9-ene (PubChem CID 22627816) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is (9E)-2-methyl-1-azacycloheptadec-9-ene.

Molecular Properties

Compound Name(9E)-2-methyl-1-azacycloheptadec-9-ene
PubChem CID22627816
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name(9E)-2-methyl-1-azacycloheptadec-9-ene
SMILESCC1CCCCCC/C=C/CCCCCCCN1
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/b3-2+
InChIKeyRKKZOHYVIAAMEJ-NSCUHMNNSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (9E)-2-methyl-1-azacycloheptadec-9-ene?
The IUPAC name of (9E)-2-methyl-1-azacycloheptadec-9-ene (CID 22627816) is (9E)-2-methyl-1-azacycloheptadec-9-ene.
What is the SMILES notation for (9E)-2-methyl-1-azacycloheptadec-9-ene?
The canonical SMILES for (9E)-2-methyl-1-azacycloheptadec-9-ene is CC1CCCCCC/C=C/CCCCCCCN1.
What is the InChIKey of (9E)-2-methyl-1-azacycloheptadec-9-ene?
The InChIKey is RKKZOHYVIAAMEJ-NSCUHMNNSA-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/b3-2+.
What are the key properties of (9E)-2-methyl-1-azacycloheptadec-9-ene?
(9E)-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 (9E)-2-methyl-1-azacycloheptadec-9-ene is sourced from PubChem (CID 22627816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).