4-amino-2-butan-2-ylimino-N,N-dimethylbut-3-enamide

C10H19N3O — CID 174114278

IUPAC4-amino-2-butan-2-ylimino-N,N-dimethylbut-3-enamide
SMILESCCC(C)/N=C(\C=CN)C(=O)N(C)C
InChIInChI=1S/C10H19N3O/c1-5-8(2)12-9(6-7-11)10(14)13(3)4/h6-8H,5,11H2,1-4H3/b7-6?,12-9+
InChIKeyDTHJHMVHQHIMEP-VVQZTGQSSA-N
MW197.28 g/mol
LogP0.79
Rot. Bonds4

About 4-amino-2-butan-2-ylimino-N,N-dimethylbut-3-enamide

4-amino-2-butan-2-ylimino-N,N-dimethylbut-3-enamide (PubChem CID 174114278) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-amino-2-butan-2-ylimino-N,N-dimethylbut-3-enamide.

Molecular Properties

Compound Name4-amino-2-butan-2-ylimino-N,N-dimethylbut-3-enamide
PubChem CID174114278
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-amino-2-butan-2-ylimino-N,N-dimethylbut-3-enamide
SMILESCCC(C)/N=C(\C=CN)C(=O)N(C)C
InChIInChI=1S/C10H19N3O/c1-5-8(2)12-9(6-7-11)10(14)13(3)4/h6-8H,5,11H2,1-4H3/b7-6?,12-9+
InChIKeyDTHJHMVHQHIMEP-VVQZTGQSSA-N
XLogP0.79
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.79
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

n,n-Dimethylazetamid
CID 20517135
N-methylazete-2-carboxamide
CID 23164916
2-[(E)-2-amino-2-chloroethenyl]imino-N,N-dimethylbut-3-enamide
CID 88987512
2-ethenylimino-N,N-dimethylbut-3-enamide
CID 123536896
3-methylimino-1H-pyrrol-2-one
CID 141197218
N-butyl-2-ethenyliminobut-3-enamide
CID 142959978
ethane;3-ethenyl-1H-pyrazin-2-one
CID 144475825
1-[6-(2-aminoethenyl)-3,5-dihydro-2H-pyrazin-4-yl]ethanone
CID 147242123
4-Amino-2-ethyliminobut-3-enamide
CID 147426933
N,N-diethylazete-2-carboxamide
CID 152106042
3-[[(Z)-4-aminobut-3-en-2-ylidene]amino]propanamide;ethane;molecular hydrogen
CID 153364428
Ethane;2-ethenyliminobut-3-enamide;molecular hydrogen
CID 153400575

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butan-2-ylimino-N,N-dimethylbut-3-enamide?
The IUPAC name of 4-amino-2-butan-2-ylimino-N,N-dimethylbut-3-enamide (CID 174114278) is 4-amino-2-butan-2-ylimino-N,N-dimethylbut-3-enamide.
What is the SMILES notation for 4-amino-2-butan-2-ylimino-N,N-dimethylbut-3-enamide?
The canonical SMILES for 4-amino-2-butan-2-ylimino-N,N-dimethylbut-3-enamide is CCC(C)/N=C(\C=CN)C(=O)N(C)C.
What is the InChIKey of 4-amino-2-butan-2-ylimino-N,N-dimethylbut-3-enamide?
The InChIKey is DTHJHMVHQHIMEP-VVQZTGQSSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-8(2)12-9(6-7-11)10(14)13(3)4/h6-8H,5,11H2,1-4H3/b7-6?,12-9+.
What are the key properties of 4-amino-2-butan-2-ylimino-N,N-dimethylbut-3-enamide?
4-amino-2-butan-2-ylimino-N,N-dimethylbut-3-enamide has a molecular weight of 197.28 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butan-2-ylimino-N,N-dimethylbut-3-enamide is sourced from PubChem (CID 174114278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).