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

C12H24N2 — CID 142470851

IUPACethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
SMILESCC.CC.[H]/N=C(\C=C)N(C=C)/C=C\C
InChIInChI=1S/C8H12N2.2C2H6/c1-4-7-10(6-3)8(9)5-2;2*1-2/h4-7,9H,2-3H2,1H3;2*1-2H3/b7-4-,9-8+;;
InChIKeyDVZZMTSUUGWWQK-NZBXCZADSA-N
MW196.34 g/mol
LogP4.18
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 142470851) has the molecular formula C12H24N2 and a molecular weight of 196.34 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 CID142470851
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Nameethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
SMILESCC.CC.[H]/N=C(\C=C)N(C=C)/C=C\C
InChIInChI=1S/C8H12N2.2C2H6/c1-4-7-10(6-3)8(9)5-2;2*1-2/h4-7,9H,2-3H2,1H3;2*1-2H3/b7-4-,9-8+;;
InChIKeyDVZZMTSUUGWWQK-NZBXCZADSA-N
XLogP4.18
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 54.18
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 142470851) 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.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 DVZZMTSUUGWWQK-NZBXCZADSA-N. The full InChI is InChI=1S/C8H12N2.2C2H6/c1-4-7-10(6-3)8(9)5-2;2*1-2/h4-7,9H,2-3H2,1H3;2*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 196.34 g/mol, XLogP of 4.18, 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 142470851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).