(2Z)-N-(1-aminoethenyl)-2-(aminomethylidene)-3-methylbutanimidoyl chloride

C8H14ClN3 — CID 173483683

IUPAC(2Z)-N-(1-aminoethenyl)-2-(aminomethylidene)-3-methylbutanimidoyl chloride
SMILESC=C(N)N=C(Cl)/C(=C\N)C(C)C
InChIInChI=1S/C8H14ClN3/c1-5(2)7(4-10)8(9)12-6(3)11/h4-5H,3,10-11H2,1-2H3/b7-4-,12-8?
InChIKeyCJVYESZYOGDRHA-RMPRAXAASA-N
MW187.67 g/mol
LogP1.55
Rot. Bonds3

About (2Z)-N-(1-aminoethenyl)-2-(aminomethylidene)-3-methylbutanimidoyl chloride

(2Z)-N-(1-aminoethenyl)-2-(aminomethylidene)-3-methylbutanimidoyl chloride (PubChem CID 173483683) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is (2Z)-N-(1-aminoethenyl)-2-(aminomethylidene)-3-methylbutanimidoyl chloride.

Molecular Properties

Compound Name(2Z)-N-(1-aminoethenyl)-2-(aminomethylidene)-3-methylbutanimidoyl chloride
PubChem CID173483683
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name(2Z)-N-(1-aminoethenyl)-2-(aminomethylidene)-3-methylbutanimidoyl chloride
SMILESC=C(N)N=C(Cl)/C(=C\N)C(C)C
InChIInChI=1S/C8H14ClN3/c1-5(2)7(4-10)8(9)12-6(3)11/h4-5H,3,10-11H2,1-2H3/b7-4-,12-8?
InChIKeyCJVYESZYOGDRHA-RMPRAXAASA-N
XLogP1.55
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(1-aminoethenyl)-2-(aminomethylidene)-3-methylbutanimidoyl chloride?
The IUPAC name of (2Z)-N-(1-aminoethenyl)-2-(aminomethylidene)-3-methylbutanimidoyl chloride (CID 173483683) is (2Z)-N-(1-aminoethenyl)-2-(aminomethylidene)-3-methylbutanimidoyl chloride.
What is the SMILES notation for (2Z)-N-(1-aminoethenyl)-2-(aminomethylidene)-3-methylbutanimidoyl chloride?
The canonical SMILES for (2Z)-N-(1-aminoethenyl)-2-(aminomethylidene)-3-methylbutanimidoyl chloride is C=C(N)N=C(Cl)/C(=C\N)C(C)C.
What is the InChIKey of (2Z)-N-(1-aminoethenyl)-2-(aminomethylidene)-3-methylbutanimidoyl chloride?
The InChIKey is CJVYESZYOGDRHA-RMPRAXAASA-N. The full InChI is InChI=1S/C8H14ClN3/c1-5(2)7(4-10)8(9)12-6(3)11/h4-5H,3,10-11H2,1-2H3/b7-4-,12-8?.
What are the key properties of (2Z)-N-(1-aminoethenyl)-2-(aminomethylidene)-3-methylbutanimidoyl chloride?
(2Z)-N-(1-aminoethenyl)-2-(aminomethylidene)-3-methylbutanimidoyl chloride has a molecular weight of 187.67 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(1-aminoethenyl)-2-(aminomethylidene)-3-methylbutanimidoyl chloride is sourced from PubChem (CID 173483683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).