(E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide

C7H14N4O — CID 153382620

IUPAC(E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide
SMILES[H]/N=C/C(NC)=C(\N)C(=O)N(C)C
InChIInChI=1S/C7H14N4O/c1-10-5(4-8)6(9)7(12)11(2)3/h4,8,10H,9H2,1-3H3/b6-5+,8-4+
InChIKeyNVAFWLBFNRERJR-PTFSRLPTSA-N
MW170.22 g/mol
LogP-0.89
Rot. Bonds3

About (E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide

(E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide (PubChem CID 153382620) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is (E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide.

Molecular Properties

Compound Name(E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide
PubChem CID153382620
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name(E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide
SMILES[H]/N=C/C(NC)=C(\N)C(=O)N(C)C
InChIInChI=1S/C7H14N4O/c1-10-5(4-8)6(9)7(12)11(2)3/h4,8,10H,9H2,1-3H3/b6-5+,8-4+
InChIKeyNVAFWLBFNRERJR-PTFSRLPTSA-N
XLogP-0.89
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-1-imino-N,3-dimethylpenta-2,4-dien-2-amine
CID 138510815
(Z)-2-amino-N,N-dimethylbut-2-enamide
CID 166848992
(2E)-1-imino-5-methylhexa-2,4-dien-2-amine
CID 134240069
(Z)-4-imino-2,3-dimethylbut-2-enamide
CID 142465244
4-[methanimidoyl(methyl)amino]butanamide
CID 144851146
tris(2-hydroxy-N,N,N'-trimethylbut-2-enediamide);iron
CID 152932850
(E)-3-amino-N-tert-butyl-2-methanimidoylprop-2-enamide
CID 143805663
(E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide
CID 170192753
3-amino-1-iminobutan-2-one
CID 174343794
N'-[(2E,4Z)-1-iminohexa-2,4-dien-2-yl]-N-methylpropanediamide
CID 89467841
3-N,3-N-dimethylpropanediimidamide
CID 58160656
(Z)-2-methanimidoyl-3-(methylamino)-3-(2-methylpropoxy)prop-2-enoic acid
CID 143664817

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide?
The IUPAC name of (E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide (CID 153382620) is (E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide.
What is the SMILES notation for (E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide?
The canonical SMILES for (E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide is [H]/N=C/C(NC)=C(\N)C(=O)N(C)C.
What is the InChIKey of (E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide?
The InChIKey is NVAFWLBFNRERJR-PTFSRLPTSA-N. The full InChI is InChI=1S/C7H14N4O/c1-10-5(4-8)6(9)7(12)11(2)3/h4,8,10H,9H2,1-3H3/b6-5+,8-4+.
What are the key properties of (E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide?
(E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide has a molecular weight of 170.22 g/mol, XLogP of -0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide is sourced from PubChem (CID 153382620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).