2-(6-naphthalen-1-ylhexan-2-ylidene)propanedinitrile

C19H18N2 — CID 11086975

IUPAC2-(6-naphthalen-1-ylhexan-2-ylidene)propanedinitrile
SMILESCC(CCCCc1cccc2ccccc12)=C(C#N)C#N
InChIInChI=1S/C19H18N2/c1-15(18(13-20)14-21)7-2-3-8-16-10-6-11-17-9-4-5-12-19(16)17/h4-6,9-12H,2-3,7-8H2,1H3
InChIKeyPEZJPZLKTOGHJE-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.92
Rot. Bonds5

About 2-(6-naphthalen-1-ylhexan-2-ylidene)propanedinitrile

2-(6-naphthalen-1-ylhexan-2-ylidene)propanedinitrile (PubChem CID 11086975) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(6-naphthalen-1-ylhexan-2-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(6-naphthalen-1-ylhexan-2-ylidene)propanedinitrile
PubChem CID11086975
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name2-(6-naphthalen-1-ylhexan-2-ylidene)propanedinitrile
SMILESCC(CCCCc1cccc2ccccc12)=C(C#N)C#N
InChIInChI=1S/C19H18N2/c1-15(18(13-20)14-21)7-2-3-8-16-10-6-11-17-9-4-5-12-19(16)17/h4-6,9-12H,2-3,7-8H2,1H3
InChIKeyPEZJPZLKTOGHJE-UHFFFAOYSA-N
XLogP4.92
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpent-4-enyl)naphthalene
CID 146002701
1-tetradecylnaphthalene
CID 14402128
3-naphthalen-1-ylpropan-1-ol
CID 14711518
2-(3-naphthalen-1-ylpropyl)propanedinitrile
CID 19955544
1-(4-fluorobutyl)naphthalene
CID 174977280
1-butylnaphthalene;ethane
CID 142087052
1-(4-methoxybutyl)naphthalene
CID 69278949
potassium;hydride;1-octylnaphthalene
CID 173443599
1-pentylnaphthalene;sulfuric acid
CID 172842201
1-[(E)-henicos-19-enyl]naphthalene
CID 101307754
8-naphthalen-1-yloctan-1-amine
CID 100987116
azane;1-butylnaphthalene;methane
CID 174691035

Frequently Asked Questions

What is the IUPAC name of 2-(6-naphthalen-1-ylhexan-2-ylidene)propanedinitrile?
The IUPAC name of 2-(6-naphthalen-1-ylhexan-2-ylidene)propanedinitrile (CID 11086975) is 2-(6-naphthalen-1-ylhexan-2-ylidene)propanedinitrile.
What is the SMILES notation for 2-(6-naphthalen-1-ylhexan-2-ylidene)propanedinitrile?
The canonical SMILES for 2-(6-naphthalen-1-ylhexan-2-ylidene)propanedinitrile is CC(CCCCc1cccc2ccccc12)=C(C#N)C#N.
What is the InChIKey of 2-(6-naphthalen-1-ylhexan-2-ylidene)propanedinitrile?
The InChIKey is PEZJPZLKTOGHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-15(18(13-20)14-21)7-2-3-8-16-10-6-11-17-9-4-5-12-19(16)17/h4-6,9-12H,2-3,7-8H2,1H3.
What are the key properties of 2-(6-naphthalen-1-ylhexan-2-ylidene)propanedinitrile?
2-(6-naphthalen-1-ylhexan-2-ylidene)propanedinitrile has a molecular weight of 274.37 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-naphthalen-1-ylhexan-2-ylidene)propanedinitrile is sourced from PubChem (CID 11086975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).