2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile

C14H18N2 — CID 62303454

IUPAC2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile
SMILESC=C(C)CN(CC)c1cc(C)ccc1C#N
InChIInChI=1S/C14H18N2/c1-5-16(10-11(2)3)14-8-12(4)6-7-13(14)9-15/h6-8H,2,5,10H2,1,3-4H3
InChIKeyUEEOSJIBINMFLZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.27
Rot. Bonds4

About 2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile

2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile (PubChem CID 62303454) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile.

Molecular Properties

Compound Name2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile
PubChem CID62303454
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile
SMILESC=C(C)CN(CC)c1cc(C)ccc1C#N
InChIInChI=1S/C14H18N2/c1-5-16(10-11(2)3)14-8-12(4)6-7-13(14)9-15/h6-8H,2,5,10H2,1,3-4H3
InChIKeyUEEOSJIBINMFLZ-UHFFFAOYSA-N
XLogP3.27
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.27
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

2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methylbenzonitrile
CID 62301790
2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide
CID 62921927
2-(N-ethyl-4-methylanilino)-4-methylbenzonitrile
CID 63512162
4-methyl-2-[methyl(pentan-2-yl)amino]benzonitrile
CID 62302957
2-(2-cyano-N,5-dimethylanilino)acetic acid
CID 62308954
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile
CID 107479568
4-methyl-2-[methyl(2-methylbutyl)amino]benzonitrile
CID 62302619
2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide
CID 55181966
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-4-methylbenzonitrile
CID 79662187
methyl 2-(2-cyano-N,5-dimethylanilino)acetate
CID 62308388
ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate
CID 62308708
2-(dipropylamino)-5-methylbenzonitrile
CID 107926828

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile?
The IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile (CID 62303454) is 2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile.
What is the SMILES notation for 2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile?
The canonical SMILES for 2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile is C=C(C)CN(CC)c1cc(C)ccc1C#N.
What is the InChIKey of 2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile?
The InChIKey is UEEOSJIBINMFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-5-16(10-11(2)3)14-8-12(4)6-7-13(14)9-15/h6-8H,2,5,10H2,1,3-4H3.
What are the key properties of 2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile?
2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile is sourced from PubChem (CID 62303454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).