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

C11H27N — CID 178138060

IUPACethane;propane;N-[(Z)-prop-1-enyl]methanimine
SMILESC=N/C=C\C.CC.CC.CCC
InChIInChI=1S/C4H7N.C3H8.2C2H6/c1-3-4-5-2;1-3-2;2*1-2/h3-4H,2H2,1H3;3H2,1-2H3;2*1-2H3/b4-3-;;;
InChIKeyULOXSXACCIUDQV-FGSKAQBVSA-N
MW173.34 g/mol
LogP4.69
Rot. Bonds1

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

ethane;propane;N-[(Z)-prop-1-enyl]methanimine (PubChem CID 178138060) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is ethane;propane;N-[(Z)-prop-1-enyl]methanimine.

Molecular Properties

Compound Nameethane;propane;N-[(Z)-prop-1-enyl]methanimine
PubChem CID178138060
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC Nameethane;propane;N-[(Z)-prop-1-enyl]methanimine
SMILESC=N/C=C\C.CC.CC.CCC
InChIInChI=1S/C4H7N.C3H8.2C2H6/c1-3-4-5-2;1-3-2;2*1-2/h3-4H,2H2,1H3;3H2,1-2H3;2*1-2H3/b4-3-;;;
InChIKeyULOXSXACCIUDQV-FGSKAQBVSA-N
XLogP4.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 54.69
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;propane;N-[(Z)-prop-1-enyl]methanimine?
The IUPAC name of ethane;propane;N-[(Z)-prop-1-enyl]methanimine (CID 178138060) is ethane;propane;N-[(Z)-prop-1-enyl]methanimine.
What is the SMILES notation for ethane;propane;N-[(Z)-prop-1-enyl]methanimine?
The canonical SMILES for ethane;propane;N-[(Z)-prop-1-enyl]methanimine is C=N/C=C\C.CC.CC.CCC.
What is the InChIKey of ethane;propane;N-[(Z)-prop-1-enyl]methanimine?
The InChIKey is ULOXSXACCIUDQV-FGSKAQBVSA-N. The full InChI is InChI=1S/C4H7N.C3H8.2C2H6/c1-3-4-5-2;1-3-2;2*1-2/h3-4H,2H2,1H3;3H2,1-2H3;2*1-2H3/b4-3-;;;.
What are the key properties of ethane;propane;N-[(Z)-prop-1-enyl]methanimine?
ethane;propane;N-[(Z)-prop-1-enyl]methanimine has a molecular weight of 173.34 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;N-[(Z)-prop-1-enyl]methanimine is sourced from PubChem (CID 178138060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).