N-[(Z)-but-1-enyl]-N'-methylethanimidamide;ethane

C9H20N2 — CID 142554408

IUPACN-[(Z)-but-1-enyl]-N'-methylethanimidamide;ethane
SMILESCC.CC/C=C\N/C(C)=N/C
InChIInChI=1S/C7H14N2.C2H6/c1-4-5-6-9-7(2)8-3;1-2/h5-6H,4H2,1-3H3,(H,8,9);1-2H3/b6-5-;
InChIKeyISMNSMHHDOJXCH-YSMBQZINSA-N
MW156.27 g/mol
LogP2.57
Rot. Bonds2

About N-[(Z)-but-1-enyl]-N'-methylethanimidamide;ethane

N-[(Z)-but-1-enyl]-N'-methylethanimidamide;ethane (PubChem CID 142554408) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]-N'-methylethanimidamide;ethane.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]-N'-methylethanimidamide;ethane
PubChem CID142554408
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-[(Z)-but-1-enyl]-N'-methylethanimidamide;ethane
SMILESCC.CC/C=C\N/C(C)=N/C
InChIInChI=1S/C7H14N2.C2H6/c1-4-5-6-9-7(2)8-3;1-2/h5-6H,4H2,1-3H3,(H,8,9);1-2H3/b6-5-;
InChIKeyISMNSMHHDOJXCH-YSMBQZINSA-N
XLogP2.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.57
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'-methylethanimidamide;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

(4E,8E)-7-fluoro-2-methyl-6,7-dihydro-1H-1,3-diazonine
CID 144356783
2-Methyl-1,4-dihydropyrimidine
CID 13432429
2-Methyl-1H-1,3-diazepine
CID 56992381
2-prop-2-enyl-1H-1,3-diazepine
CID 69249614
N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 87171545
N'-[(Z)-but-1-enyl]ethanimidamide
CID 89322230
(4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine
CID 89337028
N-[(Z)-but-1-enyl]-N'-methylethanimidamide
CID 89347354
2,4-Dimethyl-1,4-dihydropyrimidine
CID 89750388
N-ethenyl-N'-prop-1-enylbutanimidamide
CID 91047825
N,N'-bis(prop-1-enyl)ethanimidamide
CID 91212517
(3-Ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium
CID 91426073

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-1-enyl]-N'-methylethanimidamide;ethane?
The IUPAC name of N-[(Z)-but-1-enyl]-N'-methylethanimidamide;ethane (CID 142554408) is N-[(Z)-but-1-enyl]-N'-methylethanimidamide;ethane.
What is the SMILES notation for N-[(Z)-but-1-enyl]-N'-methylethanimidamide;ethane?
The canonical SMILES for N-[(Z)-but-1-enyl]-N'-methylethanimidamide;ethane is CC.CC/C=C\N/C(C)=N/C.
What is the InChIKey of N-[(Z)-but-1-enyl]-N'-methylethanimidamide;ethane?
The InChIKey is ISMNSMHHDOJXCH-YSMBQZINSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-4-5-6-9-7(2)8-3;1-2/h5-6H,4H2,1-3H3,(H,8,9);1-2H3/b6-5-;.
What are the key properties of N-[(Z)-but-1-enyl]-N'-methylethanimidamide;ethane?
N-[(Z)-but-1-enyl]-N'-methylethanimidamide;ethane has a molecular weight of 156.27 g/mol, XLogP of 2.57, 2 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'-methylethanimidamide;ethane is sourced from PubChem (CID 142554408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).