ethane;N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide

C8H16N2 — CID 142259400

IUPACethane;N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
SMILESC=N/C(C)=N/C=C\C.CC
InChIInChI=1S/C6H10N2.C2H6/c1-4-5-8-6(2)7-3;1-2/h4-5H,3H2,1-2H3;1-2H3/b5-4-,8-6+;
InChIKeyZCBGEFJHMLSAGL-NLAQHMENSA-N
MW140.23 g/mol
LogP2.67
Rot. Bonds1

About ethane;N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide

ethane;N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide (PubChem CID 142259400) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is ethane;N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide.

Molecular Properties

Compound Nameethane;N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
PubChem CID142259400
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Nameethane;N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
SMILESC=N/C(C)=N/C=C\C.CC
InChIInChI=1S/C6H10N2.C2H6/c1-4-5-8-6(2)7-3;1-2/h4-5H,3H2,1-2H3;1-2H3/b5-4-,8-6+;
InChIKeyZCBGEFJHMLSAGL-NLAQHMENSA-N
XLogP2.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of ethane;N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide?
The IUPAC name of ethane;N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide (CID 142259400) is ethane;N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide.
What is the SMILES notation for ethane;N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide?
The canonical SMILES for ethane;N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide is C=N/C(C)=N/C=C\C.CC.
What is the InChIKey of ethane;N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide?
The InChIKey is ZCBGEFJHMLSAGL-NLAQHMENSA-N. The full InChI is InChI=1S/C6H10N2.C2H6/c1-4-5-8-6(2)7-3;1-2/h4-5H,3H2,1-2H3;1-2H3/b5-4-,8-6+;.
What are the key properties of ethane;N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide?
ethane;N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide has a molecular weight of 140.23 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide is sourced from PubChem (CID 142259400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).