2-[bis(2-aminoanilino)methylidene]propanedinitrile

C16H14N6 — CID 102413326

IUPAC2-[bis(2-aminoanilino)methylidene]propanedinitrile
SMILESN#CC(C#N)=C(Nc1ccccc1N)Nc1ccccc1N
InChIInChI=1S/C16H14N6/c17-9-11(10-18)16(21-14-7-3-1-5-12(14)19)22-15-8-4-2-6-13(15)20/h1-8,21-22H,19-20H2
InChIKeyGLMAJNSEFACPJH-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.63
Rot. Bonds4

About 2-[bis(2-aminoanilino)methylidene]propanedinitrile

2-[bis(2-aminoanilino)methylidene]propanedinitrile (PubChem CID 102413326) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-[bis(2-aminoanilino)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[bis(2-aminoanilino)methylidene]propanedinitrile
PubChem CID102413326
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name2-[bis(2-aminoanilino)methylidene]propanedinitrile
SMILESN#CC(C#N)=C(Nc1ccccc1N)Nc1ccccc1N
InChIInChI=1S/C16H14N6/c17-9-11(10-18)16(21-14-7-3-1-5-12(14)19)22-15-8-4-2-6-13(15)20/h1-8,21-22H,19-20H2
InChIKeyGLMAJNSEFACPJH-UHFFFAOYSA-N
XLogP2.63
TPSA123.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 90330903
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CID 43600037
N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen
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2-N-[(Z)-4,4-dimethylpent-2-en-3-yl]benzene-1,2-diamine
CID 170283618
(E)-N-(2-aminophenyl)-4-methylpent-2-enamide
CID 59715941
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
ethane;2-N-methylbenzene-1,2-diamine
CID 91146948
1-(2-aminophenyl)-3-iodourea
CID 130470631
N-(2-aminophenyl)acetamide;2-methanidylpropane;vanadium(2+)
CID 153457478
N-(2-aminophenyl)-2-bromoacetamide
CID 89401895
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-aminoanilino)methylidene]propanedinitrile?
The IUPAC name of 2-[bis(2-aminoanilino)methylidene]propanedinitrile (CID 102413326) is 2-[bis(2-aminoanilino)methylidene]propanedinitrile.
What is the SMILES notation for 2-[bis(2-aminoanilino)methylidene]propanedinitrile?
The canonical SMILES for 2-[bis(2-aminoanilino)methylidene]propanedinitrile is N#CC(C#N)=C(Nc1ccccc1N)Nc1ccccc1N.
What is the InChIKey of 2-[bis(2-aminoanilino)methylidene]propanedinitrile?
The InChIKey is GLMAJNSEFACPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c17-9-11(10-18)16(21-14-7-3-1-5-12(14)19)22-15-8-4-2-6-13(15)20/h1-8,21-22H,19-20H2.
What are the key properties of 2-[bis(2-aminoanilino)methylidene]propanedinitrile?
2-[bis(2-aminoanilino)methylidene]propanedinitrile has a molecular weight of 290.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-aminoanilino)methylidene]propanedinitrile is sourced from PubChem (CID 102413326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).