N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane

C9H19N3O — CID 177244182

IUPACN-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane
SMILESC/N=C/C=C(\N)CNC(C)=O.CC
InChIInChI=1S/C7H13N3O.C2H6/c1-6(11)10-5-7(8)3-4-9-2;1-2/h3-4H,5,8H2,1-2H3,(H,10,11);1-2H3/b7-3-,9-4+;
InChIKeyALGWFYCBRYNSBO-FYNPSTCJSA-N
MW185.27 g/mol
LogP0.69
Rot. Bonds3

About N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane

N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane (PubChem CID 177244182) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane.

Molecular Properties

Compound NameN-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane
PubChem CID177244182
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane
SMILESC/N=C/C=C(\N)CNC(C)=O.CC
InChIInChI=1S/C7H13N3O.C2H6/c1-6(11)10-5-7(8)3-4-9-2;1-2/h3-4H,5,8H2,1-2H3,(H,10,11);1-2H3/b7-3-,9-4+;
InChIKeyALGWFYCBRYNSBO-FYNPSTCJSA-N
XLogP0.69
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-[2-(dimethylamino)ethylamino]but-2-enylidene]amino]-N-methylacetamide
CID 90245492
N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide
CID 123142341
N-[2-(methylideneamino)-3-(propan-2-ylideneamino)prop-2-enyl]acetamide
CID 123878230
N-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]acetamide
CID 129262304
1-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]piperazin-2-one
CID 134406218
N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide
CID 134406768
N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide
CID 141868008
N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide
CID 143158206
N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide
CID 143158240
ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide
CID 143158253
N-[2-[[(1E,3Z)-5-methyliminopenta-1,3-dienyl]amino]ethyl]acetamide
CID 143956409
N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]acetamide;molecular hydrogen
CID 144511423

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane?
The IUPAC name of N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane (CID 177244182) is N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane.
What is the SMILES notation for N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane?
The canonical SMILES for N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane is C/N=C/C=C(\N)CNC(C)=O.CC.
What is the InChIKey of N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane?
The InChIKey is ALGWFYCBRYNSBO-FYNPSTCJSA-N. The full InChI is InChI=1S/C7H13N3O.C2H6/c1-6(11)10-5-7(8)3-4-9-2;1-2/h3-4H,5,8H2,1-2H3,(H,10,11);1-2H3/b7-3-,9-4+;.
What are the key properties of N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane?
N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane has a molecular weight of 185.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane is sourced from PubChem (CID 177244182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).