(2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide

C8H13N3 — CID 153364034

IUPAC(2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide
SMILESC/N=C(C#N)/C(=C\N)C(C)C
InChIInChI=1S/C8H13N3/c1-6(2)7(4-9)8(5-10)11-3/h4,6H,9H2,1-3H3/b7-4-,11-8+
InChIKeyYWKKXGYUQLETBS-AFDHTILLSA-N
MW151.21 g/mol
LogP1.08
Rot. Bonds2

About (2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide

(2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide (PubChem CID 153364034) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide.

Molecular Properties

Compound Name(2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide
PubChem CID153364034
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide
SMILESC/N=C(C#N)/C(=C\N)C(C)C
InChIInChI=1S/C8H13N3/c1-6(2)7(4-9)8(5-10)11-3/h4,6H,9H2,1-3H3/b7-4-,11-8+
InChIKeyYWKKXGYUQLETBS-AFDHTILLSA-N
XLogP1.08
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
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)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide?
The IUPAC name of (2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide (CID 153364034) is (2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide.
What is the SMILES notation for (2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide?
The canonical SMILES for (2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide is C/N=C(C#N)/C(=C\N)C(C)C.
What is the InChIKey of (2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide?
The InChIKey is YWKKXGYUQLETBS-AFDHTILLSA-N. The full InChI is InChI=1S/C8H13N3/c1-6(2)7(4-9)8(5-10)11-3/h4,6H,9H2,1-3H3/b7-4-,11-8+.
What are the key properties of (2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide?
(2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide has a molecular weight of 151.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide is sourced from PubChem (CID 153364034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).