[1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium

C15H21ClN5+ — CID 3457445

IUPAC[1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium
SMILESCCC[N+](CCC)=C(N)C(C#N)=NNc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN5/c1-3-9-21(10-4-2)15(18)14(11-17)20-19-13-7-5-12(16)6-8-13/h5-8H,3-4,9-10H2,1-2H3,(H2,18,19)/p+1
InChIKeyDXDZWWUAXJDGGT-UHFFFAOYSA-O
MW306.82 g/mol
LogP2.82
Rot. Bonds7

About [1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium

[1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium (PubChem CID 3457445) has the molecular formula C15H21ClN5+ and a molecular weight of 306.82 g/mol. Its IUPAC name is [1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium.

Molecular Properties

Compound Name[1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium
PubChem CID3457445
Molecular FormulaC15H21ClN5+
Molecular Weight306.82 g/mol
Exact Mass306.15
IUPAC Name[1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium
SMILESCCC[N+](CCC)=C(N)C(C#N)=NNc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN5/c1-3-9-21(10-4-2)15(18)14(11-17)20-19-13-7-5-12(16)6-8-13/h5-8H,3-4,9-10H2,1-2H3,(H2,18,19)/p+1
InChIKeyDXDZWWUAXJDGGT-UHFFFAOYSA-O
XLogP2.82
TPSA77.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide
CID 2814561
ethyl 4-[[2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetyl]amino]benzoate
CID 155490539
diethyl 2-[(2E)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyano-1-phenylethylidene]propanedioate
CID 134868912
(1E)-2-amino-N-(4-methylanilino)-2-sulfanylideneethanimidoyl cyanide
CID 5368595
(1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide
CID 177461949
(1E)-N-(4-chloroanilino)-1-methylsulfonylmethanimidoyl cyanide
CID 117063583
(1Z)-2-amino-N-[3-chloro-4-(diethylamino)anilino]-2-iminoethanimidoyl cyanide
CID 172976932
ethyl (2Z)-2-[(3-carbamoyl-4-chlorophenyl)hydrazinylidene]-2-cyanoacetate
CID 5406095
(1Z)-2-amino-N-(4-ethylsulfanylanilino)-2-iminoethanimidoyl cyanide
CID 172977634
N-(4-chloroanilino)-2-(2-cyclopentylidenehydrazinyl)-2-oxoethanimidoyl cyanide
CID 4249266
2-amino-N-(4-iodoanilino)-2-sulfanylideneethanimidoyl cyanide
CID 922440
N-(4-chlorophenyl)ethanehydrazonoyl chloride
CID 86039764

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium?
The IUPAC name of [1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium (CID 3457445) is [1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium.
What is the SMILES notation for [1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium?
The canonical SMILES for [1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium is CCC[N+](CCC)=C(N)C(C#N)=NNc1ccc(Cl)cc1.
What is the InChIKey of [1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium?
The InChIKey is DXDZWWUAXJDGGT-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20ClN5/c1-3-9-21(10-4-2)15(18)14(11-17)20-19-13-7-5-12(16)6-8-13/h5-8H,3-4,9-10H2,1-2H3,(H2,18,19)/p+1.
What are the key properties of [1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium?
[1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium has a molecular weight of 306.82 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoethylidene]-dipropylazanium is sourced from PubChem (CID 3457445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).