ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide

C10H18N2 — CID 142516296

IUPACethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
SMILESCC.[H]/N=C(\C=C)N(C=C)/C=C\C
InChIInChI=1S/C8H12N2.C2H6/c1-4-7-10(6-3)8(9)5-2;1-2/h4-7,9H,2-3H2,1H3;1-2H3/b7-4-,9-8+;
InChIKeyFQCASKLMPIFNFV-HJOQNNTHSA-N
MW166.27 g/mol
LogP3.15
Rot. Bonds3

About ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide

ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide (PubChem CID 142516296) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide.

Molecular Properties

Compound Nameethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
PubChem CID142516296
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
SMILESCC.[H]/N=C(\C=C)N(C=C)/C=C\C
InChIInChI=1S/C8H12N2.C2H6/c1-4-7-10(6-3)8(9)5-2;1-2/h4-7,9H,2-3H2,1H3;1-2H3/b7-4-,9-8+;
InChIKeyFQCASKLMPIFNFV-HJOQNNTHSA-N
XLogP3.15
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.15
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

1-methylpyridin-2(1H)-imine
CID 138111
(Z)-3-(dimethylamino)prop-2-enimidamide
CID 89016568
1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 89843153
N-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 89893482
N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 118674850
1,2-Dimethylpyrimidin-4-imine
CID 123181535
N-ethenyl-2-methylimino-N-prop-1-enylethanimidamide
CID 123505656
N-ethyl-N-prop-1-enylprop-2-enimidamide
CID 123879533
N-methyl-N-prop-1-enylethanimidamide
CID 123961702
N-ethyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 130247448
N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]prop-2-enimidamide
CID 132198310
N-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 134286370

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide?
The IUPAC name of ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide (CID 142516296) is ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide.
What is the SMILES notation for ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide?
The canonical SMILES for ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide is CC.[H]/N=C(\C=C)N(C=C)/C=C\C.
What is the InChIKey of ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide?
The InChIKey is FQCASKLMPIFNFV-HJOQNNTHSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-4-7-10(6-3)8(9)5-2;1-2/h4-7,9H,2-3H2,1H3;1-2H3/b7-4-,9-8+;.
What are the key properties of ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide?
ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide has a molecular weight of 166.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide is sourced from PubChem (CID 142516296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).