ethane;(Z)-N-ethenyl-N'-methylbut-2-enimidamide

C9H18N2 — CID 142116841

IUPACethane;(Z)-N-ethenyl-N'-methylbut-2-enimidamide
SMILESC=CNC(/C=C\C)=N/C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-6-7(8-3)9-5-2;1-2/h4-6H,2H2,1,3H3,(H,8,9);1-2H3/b6-4-;
InChIKeyQZNLSRWVEPXMRC-YHSAGPEESA-N
MW154.26 g/mol
LogP2.35
Rot. Bonds2

About ethane;(Z)-N-ethenyl-N'-methylbut-2-enimidamide

ethane;(Z)-N-ethenyl-N'-methylbut-2-enimidamide (PubChem CID 142116841) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;(Z)-N-ethenyl-N'-methylbut-2-enimidamide.

Molecular Properties

Compound Nameethane;(Z)-N-ethenyl-N'-methylbut-2-enimidamide
PubChem CID142116841
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;(Z)-N-ethenyl-N'-methylbut-2-enimidamide
SMILESC=CNC(/C=C\C)=N/C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-6-7(8-3)9-5-2;1-2/h4-6H,2H2,1,3H3,(H,8,9);1-2H3/b6-4-;
InChIKeyQZNLSRWVEPXMRC-YHSAGPEESA-N
XLogP2.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide
CID 130343374
(E)-N,N'-di(propan-2-yl)but-2-enimidamide
CID 21721177
2-Methyl-1,4-dihydropyrimidine
CID 13432429
carbanide;N-methyl-2H-pyrimidin-2-id-4-amine;vanadium(2+)
CID 20644795
2-Methyl-1H-1,3-diazepine
CID 56992381
2-ethenyl-1H-1,3-diazepine
CID 56992451
2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium
CID 57177363
(Z)-N,N'-dimethylbut-2-enimidamide
CID 58400962
2-Ethyl-1,4-dihydropyrimidine
CID 69423963
N,N'-dimethylbut-2-enimidamide
CID 73829471
3-deuterio-2-ethenyl-4H-pyrimidine
CID 87130852
N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 87171545

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-ethenyl-N'-methylbut-2-enimidamide?
The IUPAC name of ethane;(Z)-N-ethenyl-N'-methylbut-2-enimidamide (CID 142116841) is ethane;(Z)-N-ethenyl-N'-methylbut-2-enimidamide.
What is the SMILES notation for ethane;(Z)-N-ethenyl-N'-methylbut-2-enimidamide?
The canonical SMILES for ethane;(Z)-N-ethenyl-N'-methylbut-2-enimidamide is C=CNC(/C=C\C)=N/C.CC.
What is the InChIKey of ethane;(Z)-N-ethenyl-N'-methylbut-2-enimidamide?
The InChIKey is QZNLSRWVEPXMRC-YHSAGPEESA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-4-6-7(8-3)9-5-2;1-2/h4-6H,2H2,1,3H3,(H,8,9);1-2H3/b6-4-;.
What are the key properties of ethane;(Z)-N-ethenyl-N'-methylbut-2-enimidamide?
ethane;(Z)-N-ethenyl-N'-methylbut-2-enimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-ethenyl-N'-methylbut-2-enimidamide is sourced from PubChem (CID 142116841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).