N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane

C14H30N2 — CID 144672572

IUPACN-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane
SMILESC.CC.CC.[H]/N=C(\C=C)N(C=C)/C=C\CC
InChIInChI=1S/C9H14N2.2C2H6.CH4/c1-4-7-8-11(6-3)9(10)5-2;2*1-2;/h5-8,10H,2-4H2,1H3;2*1-2H3;1H4/b8-7-,10-9+;;;
InChIKeyYWFMJYSPIGSCGD-VVFQFCECSA-N
MW226.41 g/mol
LogP5.21
Rot. Bonds4

About N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane

N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane (PubChem CID 144672572) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane
PubChem CID144672572
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane
SMILESC.CC.CC.[H]/N=C(\C=C)N(C=C)/C=C\CC
InChIInChI=1S/C9H14N2.2C2H6.CH4/c1-4-7-8-11(6-3)9(10)5-2;2*1-2;/h5-8,10H,2-4H2,1H3;2*1-2H3;1H4/b8-7-,10-9+;;;
InChIKeyYWFMJYSPIGSCGD-VVFQFCECSA-N
XLogP5.21
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.41
LogP ≤ 55.21
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-[(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
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
N'-methyl-N-[(E)-3-methylbut-1-enyl]-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 134286724
N-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide
CID 134578231
1,4-Dimethylpyridin-2-imine;ethane
CID 141930235
Ethane;1-methylpyridin-2-imine
CID 142176496

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane?
The IUPAC name of N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane (CID 144672572) is N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane.
What is the SMILES notation for N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane?
The canonical SMILES for N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane is C.CC.CC.[H]/N=C(\C=C)N(C=C)/C=C\CC.
What is the InChIKey of N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane?
The InChIKey is YWFMJYSPIGSCGD-VVFQFCECSA-N. The full InChI is InChI=1S/C9H14N2.2C2H6.CH4/c1-4-7-8-11(6-3)9(10)5-2;2*1-2;/h5-8,10H,2-4H2,1H3;2*1-2H3;1H4/b8-7-,10-9+;;;.
What are the key properties of N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane?
N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane has a molecular weight of 226.41 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane is sourced from PubChem (CID 144672572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).