14-methylpentadec-3-enenitrile

C16H29N — CID 162814666

IUPAC14-methylpentadec-3-enenitrile
SMILESCC(C)CCCCCCCCCC=CCC#N
InChIInChI=1S/C16H29N/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17/h9,11,16H,3-8,10,12-14H2,1-2H3
InChIKeyNYXFTJGURNRCKM-UHFFFAOYSA-N
MW235.41 g/mol
LogP5.62
Rot. Bonds11

About 14-methylpentadec-3-enenitrile

14-methylpentadec-3-enenitrile (PubChem CID 162814666) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 14-methylpentadec-3-enenitrile.

Molecular Properties

Compound Name14-methylpentadec-3-enenitrile
PubChem CID162814666
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name14-methylpentadec-3-enenitrile
SMILESCC(C)CCCCCCCCCC=CCC#N
InChIInChI=1S/C16H29N/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17/h9,11,16H,3-8,10,12-14H2,1-2H3
InChIKeyNYXFTJGURNRCKM-UHFFFAOYSA-N
XLogP5.62
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14-methylpentadec-3-enenitrile?
The IUPAC name of 14-methylpentadec-3-enenitrile (CID 162814666) is 14-methylpentadec-3-enenitrile.
What is the SMILES notation for 14-methylpentadec-3-enenitrile?
The canonical SMILES for 14-methylpentadec-3-enenitrile is CC(C)CCCCCCCCCC=CCC#N.
What is the InChIKey of 14-methylpentadec-3-enenitrile?
The InChIKey is NYXFTJGURNRCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17/h9,11,16H,3-8,10,12-14H2,1-2H3.
What are the key properties of 14-methylpentadec-3-enenitrile?
14-methylpentadec-3-enenitrile has a molecular weight of 235.41 g/mol, XLogP of 5.62, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methylpentadec-3-enenitrile is sourced from PubChem (CID 162814666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).