ethane;N-[(Z)-2-(methylideneamino)but-1-enyl]methanimine

C10H22N2 — CID 143985205

IUPACethane;N-[(Z)-2-(methylideneamino)but-1-enyl]methanimine
SMILESC=N/C=C(/CC)N=C.CC.CC
InChIInChI=1S/C6H10N2.2C2H6/c1-4-6(8-3)5-7-2;2*1-2/h5H,2-4H2,1H3;2*1-2H3/b6-5-;;
InChIKeyJERUUGIJWQORCP-XNOMRPDFSA-N
MW170.30 g/mol
LogP3.69
Rot. Bonds3

About ethane;N-[(Z)-2-(methylideneamino)but-1-enyl]methanimine

ethane;N-[(Z)-2-(methylideneamino)but-1-enyl]methanimine (PubChem CID 143985205) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;N-[(Z)-2-(methylideneamino)but-1-enyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(Z)-2-(methylideneamino)but-1-enyl]methanimine
PubChem CID143985205
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameethane;N-[(Z)-2-(methylideneamino)but-1-enyl]methanimine
SMILESC=N/C=C(/CC)N=C.CC.CC
InChIInChI=1S/C6H10N2.2C2H6/c1-4-6(8-3)5-7-2;2*1-2/h5H,2-4H2,1H3;2*1-2H3/b6-5-;;
InChIKeyJERUUGIJWQORCP-XNOMRPDFSA-N
XLogP3.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-2-(methylideneamino)but-1-enyl]methanimine?
The IUPAC name of ethane;N-[(Z)-2-(methylideneamino)but-1-enyl]methanimine (CID 143985205) is ethane;N-[(Z)-2-(methylideneamino)but-1-enyl]methanimine.
What is the SMILES notation for ethane;N-[(Z)-2-(methylideneamino)but-1-enyl]methanimine?
The canonical SMILES for ethane;N-[(Z)-2-(methylideneamino)but-1-enyl]methanimine is C=N/C=C(/CC)N=C.CC.CC.
What is the InChIKey of ethane;N-[(Z)-2-(methylideneamino)but-1-enyl]methanimine?
The InChIKey is JERUUGIJWQORCP-XNOMRPDFSA-N. The full InChI is InChI=1S/C6H10N2.2C2H6/c1-4-6(8-3)5-7-2;2*1-2/h5H,2-4H2,1H3;2*1-2H3/b6-5-;;.
What are the key properties of ethane;N-[(Z)-2-(methylideneamino)but-1-enyl]methanimine?
ethane;N-[(Z)-2-(methylideneamino)but-1-enyl]methanimine has a molecular weight of 170.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-2-(methylideneamino)but-1-enyl]methanimine is sourced from PubChem (CID 143985205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).