2-[[2-(diethylamino)-5-methylanilino]methylidene]propanedinitrile

C15H18N4 — CID 168541697

IUPAC2-[[2-(diethylamino)-5-methylanilino]methylidene]propanedinitrile
SMILESCCN(CC)c1ccc(C)cc1NC=C(C#N)C#N
InChIInChI=1S/C15H18N4/c1-4-19(5-2)15-7-6-12(3)8-14(15)18-11-13(9-16)10-17/h6-8,11,18H,4-5H2,1-3H3
InChIKeyISKBTEUBMQVCTQ-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.18
Rot. Bonds5

About 2-[[2-(diethylamino)-5-methylanilino]methylidene]propanedinitrile

2-[[2-(diethylamino)-5-methylanilino]methylidene]propanedinitrile (PubChem CID 168541697) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-5-methylanilino]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-(diethylamino)-5-methylanilino]methylidene]propanedinitrile
PubChem CID168541697
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-[[2-(diethylamino)-5-methylanilino]methylidene]propanedinitrile
SMILESCCN(CC)c1ccc(C)cc1NC=C(C#N)C#N
InChIInChI=1S/C15H18N4/c1-4-19(5-2)15-7-6-12(3)8-14(15)18-11-13(9-16)10-17/h6-8,11,18H,4-5H2,1-3H3
InChIKeyISKBTEUBMQVCTQ-UHFFFAOYSA-N
XLogP3.18
TPSA62.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-iodo-4-methylanilino)methylidene]propanedinitrile
CID 168541260
2-[(2-bromo-4-methylanilino)methylidene]propanedinitrile
CID 26485291
methyl 2-(2,2-dicyanoethenylamino)-5-methylbenzoate
CID 168541208
3-(2,2-dicyanoethenylamino)-N,N-diethyl-4-methylbenzenesulfonamide
CID 26485785
2-[(4-bromo-2-methylanilino)methylidene]propanedinitrile
CID 47121487
2-[(2,4,5-trimethylanilino)methylidene]propanedinitrile
CID 168543102
4-(2,2-dicyanoethenylamino)-3-methyl-N-propylbenzamide
CID 168542026
2-(2,2-dicyanoethenylamino)-N-(2,4-dimethylphenyl)benzamide
CID 168541901
2-[(2-chloro-4,5-dimethylanilino)methylidene]propanedinitrile
CID 168541587
3-(2,2-dicyanoethenylamino)-N,N-diethylbenzamide
CID 17194664
2-[[2-chloro-2-(4-chloro-2-methylphenyl)hydrazinyl]methylidene]propanedinitrile
CID 88640908
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857959

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-5-methylanilino]methylidene]propanedinitrile?
The IUPAC name of 2-[[2-(diethylamino)-5-methylanilino]methylidene]propanedinitrile (CID 168541697) is 2-[[2-(diethylamino)-5-methylanilino]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-(diethylamino)-5-methylanilino]methylidene]propanedinitrile?
The canonical SMILES for 2-[[2-(diethylamino)-5-methylanilino]methylidene]propanedinitrile is CCN(CC)c1ccc(C)cc1NC=C(C#N)C#N.
What is the InChIKey of 2-[[2-(diethylamino)-5-methylanilino]methylidene]propanedinitrile?
The InChIKey is ISKBTEUBMQVCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-4-19(5-2)15-7-6-12(3)8-14(15)18-11-13(9-16)10-17/h6-8,11,18H,4-5H2,1-3H3.
What are the key properties of 2-[[2-(diethylamino)-5-methylanilino]methylidene]propanedinitrile?
2-[[2-(diethylamino)-5-methylanilino]methylidene]propanedinitrile has a molecular weight of 254.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-5-methylanilino]methylidene]propanedinitrile is sourced from PubChem (CID 168541697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).