2-(3-naphthalen-1-ylpropyl)propanedinitrile

C16H14N2 — CID 19955544

IUPAC2-(3-naphthalen-1-ylpropyl)propanedinitrile
SMILESN#CC(C#N)CCCc1cccc2ccccc12
InChIInChI=1S/C16H14N2/c17-11-13(12-18)5-3-7-15-9-4-8-14-6-1-2-10-16(14)15/h1-2,4,6,8-10,13H,3,5,7H2
InChIKeyUAPRJTNYAWRHDW-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.83
Rot. Bonds4

About 2-(3-naphthalen-1-ylpropyl)propanedinitrile

2-(3-naphthalen-1-ylpropyl)propanedinitrile (PubChem CID 19955544) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(3-naphthalen-1-ylpropyl)propanedinitrile.

Molecular Properties

Compound Name2-(3-naphthalen-1-ylpropyl)propanedinitrile
PubChem CID19955544
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name2-(3-naphthalen-1-ylpropyl)propanedinitrile
SMILESN#CC(C#N)CCCc1cccc2ccccc12
InChIInChI=1S/C16H14N2/c17-11-13(12-18)5-3-7-15-9-4-8-14-6-1-2-10-16(14)15/h1-2,4,6,8-10,13H,3,5,7H2
InChIKeyUAPRJTNYAWRHDW-UHFFFAOYSA-N
XLogP3.83
TPSA47.58 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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphthalen-1-ylpropan-1-ol
CID 14711518
1-(4-fluorobutyl)naphthalene
CID 174977280
1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 139748426
1-(3,3-dichloropropyl)naphthalene
CID 54458566
1-butylnaphthalene;ethane
CID 142087052
1-(4-methoxybutyl)naphthalene
CID 69278949
2-(6-naphthalen-1-ylhexan-2-ylidene)propanedinitrile
CID 11086975
8-naphthalen-1-yloctan-1-amine
CID 100987116
azane;1-butylnaphthalene;methane
CID 174691035
1-tetradecylnaphthalene
CID 14402128
5-naphthalen-1-ylpentyl thiohypochlorite
CID 139608477
3-methyl-2-(naphthalen-1-ylmethyl)butanenitrile
CID 116931776

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-ylpropyl)propanedinitrile?
The IUPAC name of 2-(3-naphthalen-1-ylpropyl)propanedinitrile (CID 19955544) is 2-(3-naphthalen-1-ylpropyl)propanedinitrile.
What is the SMILES notation for 2-(3-naphthalen-1-ylpropyl)propanedinitrile?
The canonical SMILES for 2-(3-naphthalen-1-ylpropyl)propanedinitrile is N#CC(C#N)CCCc1cccc2ccccc12.
What is the InChIKey of 2-(3-naphthalen-1-ylpropyl)propanedinitrile?
The InChIKey is UAPRJTNYAWRHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c17-11-13(12-18)5-3-7-15-9-4-8-14-6-1-2-10-16(14)15/h1-2,4,6,8-10,13H,3,5,7H2.
What are the key properties of 2-(3-naphthalen-1-ylpropyl)propanedinitrile?
2-(3-naphthalen-1-ylpropyl)propanedinitrile has a molecular weight of 234.30 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-ylpropyl)propanedinitrile is sourced from PubChem (CID 19955544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).