(Z)-4-amino-2-ethenylimino-N,N-dimethylpent-3-enamide

C9H15N3O — CID 163896032

IUPAC(Z)-4-amino-2-ethenylimino-N,N-dimethylpent-3-enamide
SMILESC=C/N=C(/C=C(/C)N)C(=O)N(C)C
InChIInChI=1S/C9H15N3O/c1-5-11-8(6-7(2)10)9(13)12(3)4/h5-6H,1,10H2,2-4H3/b7-6-,11-8-
InChIKeyQFRJNEPMZLVFMI-NJMVCRMVSA-N
MW181.24 g/mol
LogP0.52
Rot. Bonds3

About (Z)-4-amino-2-ethenylimino-N,N-dimethylpent-3-enamide

(Z)-4-amino-2-ethenylimino-N,N-dimethylpent-3-enamide (PubChem CID 163896032) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (Z)-4-amino-2-ethenylimino-N,N-dimethylpent-3-enamide.

Molecular Properties

Compound Name(Z)-4-amino-2-ethenylimino-N,N-dimethylpent-3-enamide
PubChem CID163896032
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(Z)-4-amino-2-ethenylimino-N,N-dimethylpent-3-enamide
SMILESC=C/N=C(/C=C(/C)N)C(=O)N(C)C
InChIInChI=1S/C9H15N3O/c1-5-11-8(6-7(2)10)9(13)12(3)4/h5-6H,1,10H2,2-4H3/b7-6-,11-8-
InChIKeyQFRJNEPMZLVFMI-NJMVCRMVSA-N
XLogP0.52
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-amino-N,N-dimethyl-2-methyliminopent-3-enamide
CID 118972787
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide
CID 121329487
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide
CID 121329879
(Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide
CID 121329897
(Z)-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
CID 121330177
(Z)-4-[(2S)-2,4,6-trimethyl-2H-pyrimidin-1-yl]but-3-enamide
CID 121330183
(Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
CID 121330197
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propylbut-3-enamide
CID 121330203
(Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
CID 121330313
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-ethylbut-3-enamide
CID 121330327
2-ethenylimino-N,N-dimethylbut-3-enamide
CID 123536896
(Z)-N-[3-(dimethylamino)but-2-en-2-yl]-2-methyliminopent-3-enamide
CID 123601777

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-2-ethenylimino-N,N-dimethylpent-3-enamide?
The IUPAC name of (Z)-4-amino-2-ethenylimino-N,N-dimethylpent-3-enamide (CID 163896032) is (Z)-4-amino-2-ethenylimino-N,N-dimethylpent-3-enamide.
What is the SMILES notation for (Z)-4-amino-2-ethenylimino-N,N-dimethylpent-3-enamide?
The canonical SMILES for (Z)-4-amino-2-ethenylimino-N,N-dimethylpent-3-enamide is C=C/N=C(/C=C(/C)N)C(=O)N(C)C.
What is the InChIKey of (Z)-4-amino-2-ethenylimino-N,N-dimethylpent-3-enamide?
The InChIKey is QFRJNEPMZLVFMI-NJMVCRMVSA-N. The full InChI is InChI=1S/C9H15N3O/c1-5-11-8(6-7(2)10)9(13)12(3)4/h5-6H,1,10H2,2-4H3/b7-6-,11-8-.
What are the key properties of (Z)-4-amino-2-ethenylimino-N,N-dimethylpent-3-enamide?
(Z)-4-amino-2-ethenylimino-N,N-dimethylpent-3-enamide has a molecular weight of 181.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-2-ethenylimino-N,N-dimethylpent-3-enamide is sourced from PubChem (CID 163896032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).