N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;ethane

C8H18N2 — CID 142035471

IUPACN-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;ethane
SMILESC/C=C(/C)N/C=N/C.CC
InChIInChI=1S/C6H12N2.C2H6/c1-4-6(2)8-5-7-3;1-2/h4-5H,1-3H3,(H,7,8);1-2H3/b6-4-;
InChIKeyRCNJVWZPAKLQPG-YHSAGPEESA-N
MW142.25 g/mol
LogP2.18
Rot. Bonds2

About N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;ethane

N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;ethane (PubChem CID 142035471) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;ethane.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;ethane
PubChem CID142035471
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;ethane
SMILESC/C=C(/C)N/C=N/C.CC
InChIInChI=1S/C6H12N2.C2H6/c1-4-6(2)8-5-7-3;1-2/h4-5H,1-3H3,(H,7,8);1-2H3/b6-4-;
InChIKeyRCNJVWZPAKLQPG-YHSAGPEESA-N
XLogP2.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.18
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'}

Analyze N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;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

6-Methyl-1,4-dihydropyrimidine
CID 19748724
N-but-2-en-2-yl-N'-methylmethanimidamide
CID 59874817
N,6-dimethyl-1,4-dihydropyrimidin-4-amine
CID 90452821
6-Methyl-1,4-dihydropyrimidin-4-amine
CID 90454007
N-[(E)-but-2-en-2-yl]-N'-methylmethanimidamide
CID 90807212
N'-[(E)-but-2-en-2-yl]-N-prop-1-en-2-ylmethanimidamide
CID 90809121
N'-methyl-N-prop-1-en-2-ylmethanimidamide
CID 90883125
N'-ethyl-N-prop-1-en-2-ylmethanimidamide
CID 91052461
N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide
CID 91073964
N-[(Z)-1-aminoprop-1-en-2-yl]-N'-methylmethanimidamide
CID 118689711
N-[(Z)-but-2-en-2-yl]-N'-ethenylmethanimidamide
CID 118900942
N'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide
CID 118973315

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;ethane?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;ethane (CID 142035471) is N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;ethane.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;ethane?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;ethane is C/C=C(/C)N/C=N/C.CC.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;ethane?
The InChIKey is RCNJVWZPAKLQPG-YHSAGPEESA-N. The full InChI is InChI=1S/C6H12N2.C2H6/c1-4-6(2)8-5-7-3;1-2/h4-5H,1-3H3,(H,7,8);1-2H3/b6-4-;.
What are the key properties of N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;ethane?
N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;ethane has a molecular weight of 142.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide;ethane is sourced from PubChem (CID 142035471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).