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

C13H26N2 — CID 145001551

IUPACN-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane
SMILESCC.CC.[H]/N=C(\C=C)N(C=C)/C=C\CC
InChIInChI=1S/C9H14N2.2C2H6/c1-4-7-8-11(6-3)9(10)5-2;2*1-2/h5-8,10H,2-4H2,1H3;2*1-2H3/b8-7-,10-9+;;
InChIKeyXYRDZSGUGALWJN-MURMZTFFSA-N
MW210.36 g/mol
LogP4.57
Rot. Bonds4

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

N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane (PubChem CID 145001551) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane
PubChem CID145001551
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane
SMILESCC.CC.[H]/N=C(\C=C)N(C=C)/C=C\CC
InChIInChI=1S/C9H14N2.2C2H6/c1-4-7-8-11(6-3)9(10)5-2;2*1-2/h5-8,10H,2-4H2,1H3;2*1-2H3/b8-7-,10-9+;;
InChIKeyXYRDZSGUGALWJN-MURMZTFFSA-N
XLogP4.57
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.57
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'}

Analyze N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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?
The IUPAC name of N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane (CID 145001551) is N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane.
What is the SMILES notation for N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane?
The canonical SMILES for N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane is 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?
The InChIKey is XYRDZSGUGALWJN-MURMZTFFSA-N. The full InChI is InChI=1S/C9H14N2.2C2H6/c1-4-7-8-11(6-3)9(10)5-2;2*1-2/h5-8,10H,2-4H2,1H3;2*1-2H3/b8-7-,10-9+;;.
What are the key properties of N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane?
N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane has a molecular weight of 210.36 g/mol, XLogP of 4.57, 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 is sourced from PubChem (CID 145001551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).