ethane;N-[(Z)-prop-1-enyl]methanimine

C6H13N — CID 144615433

IUPACethane;N-[(Z)-prop-1-enyl]methanimine
SMILESC=N/C=C\C.CC
InChIInChI=1S/C4H7N.C2H6/c1-3-4-5-2;1-2/h3-4H,2H2,1H3;1-2H3/b4-3-;
InChIKeyNQZDOFYENMNZPU-LNKPDPKZSA-N
MW99.18 g/mol
LogP2.25
Rot. Bonds1

About ethane;N-[(Z)-prop-1-enyl]methanimine

ethane;N-[(Z)-prop-1-enyl]methanimine (PubChem CID 144615433) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is ethane;N-[(Z)-prop-1-enyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(Z)-prop-1-enyl]methanimine
PubChem CID144615433
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Nameethane;N-[(Z)-prop-1-enyl]methanimine
SMILESC=N/C=C\C.CC
InChIInChI=1S/C4H7N.C2H6/c1-3-4-5-2;1-2/h3-4H,2H2,1H3;1-2H3/b4-3-;
InChIKeyNQZDOFYENMNZPU-LNKPDPKZSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-prop-1-enyl]methanimine?
The IUPAC name of ethane;N-[(Z)-prop-1-enyl]methanimine (CID 144615433) is ethane;N-[(Z)-prop-1-enyl]methanimine.
What is the SMILES notation for ethane;N-[(Z)-prop-1-enyl]methanimine?
The canonical SMILES for ethane;N-[(Z)-prop-1-enyl]methanimine is C=N/C=C\C.CC.
What is the InChIKey of ethane;N-[(Z)-prop-1-enyl]methanimine?
The InChIKey is NQZDOFYENMNZPU-LNKPDPKZSA-N. The full InChI is InChI=1S/C4H7N.C2H6/c1-3-4-5-2;1-2/h3-4H,2H2,1H3;1-2H3/b4-3-;.
What are the key properties of ethane;N-[(Z)-prop-1-enyl]methanimine?
ethane;N-[(Z)-prop-1-enyl]methanimine has a molecular weight of 99.18 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-prop-1-enyl]methanimine is sourced from PubChem (CID 144615433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).