4-[ethyl(prop-2-enyl)amino]benzonitrile

C12H14N2 — CID 78958833

IUPAC4-[ethyl(prop-2-enyl)amino]benzonitrile
SMILESC=CCN(CC)c1ccc(C#N)cc1
InChIInChI=1S/C12H14N2/c1-3-9-14(4-2)12-7-5-11(10-13)6-8-12/h3,5-8H,1,4,9H2,2H3
InChIKeyXXQDOEDQCRBICY-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.57
Rot. Bonds4

About 4-[ethyl(prop-2-enyl)amino]benzonitrile

4-[ethyl(prop-2-enyl)amino]benzonitrile (PubChem CID 78958833) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-[ethyl(prop-2-enyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[ethyl(prop-2-enyl)amino]benzonitrile
PubChem CID78958833
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-[ethyl(prop-2-enyl)amino]benzonitrile
SMILESC=CCN(CC)c1ccc(C#N)cc1
InChIInChI=1S/C12H14N2/c1-3-9-14(4-2)12-7-5-11(10-13)6-8-12/h3,5-8H,1,4,9H2,2H3
InChIKeyXXQDOEDQCRBICY-UHFFFAOYSA-N
XLogP2.57
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[bis(prop-2-enyl)amino]benzonitrile
CID 15882264
4-(4-cyano-N-ethylanilino)benzonitrile
CID 102137566
4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]benzaldehyde;4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]benzonitrile
CID 158727090
2-[bis(prop-2-enyl)amino]-2-[4-(diethylamino)phenyl]acetonitrile
CID 84757349
2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile
CID 78958811
4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile
CID 122213213
3-[4-(diethylamino)-N-prop-2-enylanilino]propanoic acid
CID 82317527
3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 109041719
3-bromo-4-[prop-2-enyl(propyl)amino]benzonitrile
CID 82798048
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-(N-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-4-cyanoanilino)benzonitrile
CID 102267120
4-[4-(2-chloropropan-2-yl)-N-[4-(2-chloropropan-2-yl)phenyl]anilino]benzonitrile
CID 123780810

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(prop-2-enyl)amino]benzonitrile?
The IUPAC name of 4-[ethyl(prop-2-enyl)amino]benzonitrile (CID 78958833) is 4-[ethyl(prop-2-enyl)amino]benzonitrile.
What is the SMILES notation for 4-[ethyl(prop-2-enyl)amino]benzonitrile?
The canonical SMILES for 4-[ethyl(prop-2-enyl)amino]benzonitrile is C=CCN(CC)c1ccc(C#N)cc1.
What is the InChIKey of 4-[ethyl(prop-2-enyl)amino]benzonitrile?
The InChIKey is XXQDOEDQCRBICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-9-14(4-2)12-7-5-11(10-13)6-8-12/h3,5-8H,1,4,9H2,2H3.
What are the key properties of 4-[ethyl(prop-2-enyl)amino]benzonitrile?
4-[ethyl(prop-2-enyl)amino]benzonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(prop-2-enyl)amino]benzonitrile is sourced from PubChem (CID 78958833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).