3-(benzhydrylideneamino)propanenitrile

C16H14N2 — CID 14340056

IUPAC3-(benzhydrylideneamino)propanenitrile
SMILESN#CCCN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N2/c17-12-7-13-18-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,13H2
InChIKeyUPEIIICQBGYIFQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.44
Rot. Bonds4

About 3-(benzhydrylideneamino)propanenitrile

3-(benzhydrylideneamino)propanenitrile (PubChem CID 14340056) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(benzhydrylideneamino)propanenitrile.

Molecular Properties

Compound Name3-(benzhydrylideneamino)propanenitrile
PubChem CID14340056
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name3-(benzhydrylideneamino)propanenitrile
SMILESN#CCCN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N2/c17-12-7-13-18-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,13H2
InChIKeyUPEIIICQBGYIFQ-UHFFFAOYSA-N
XLogP3.44
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(benzhydrylideneamino)propanenitrile?
The IUPAC name of 3-(benzhydrylideneamino)propanenitrile (CID 14340056) is 3-(benzhydrylideneamino)propanenitrile.
What is the SMILES notation for 3-(benzhydrylideneamino)propanenitrile?
The canonical SMILES for 3-(benzhydrylideneamino)propanenitrile is N#CCCN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzhydrylideneamino)propanenitrile?
The InChIKey is UPEIIICQBGYIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c17-12-7-13-18-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,13H2.
What are the key properties of 3-(benzhydrylideneamino)propanenitrile?
3-(benzhydrylideneamino)propanenitrile has a molecular weight of 234.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzhydrylideneamino)propanenitrile is sourced from PubChem (CID 14340056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).