propane;N-prop-1-en-2-ylhept-1-en-3-imine

C13H25N — CID 143101176

IUPACpropane;N-prop-1-en-2-ylhept-1-en-3-imine
SMILESC=C/C(CCCC)=N\C(=C)C.CCC
InChIInChI=1S/C10H17N.C3H8/c1-5-7-8-10(6-2)11-9(3)4;1-3-2/h6H,2-3,5,7-8H2,1,4H3;3H2,1-2H3/b11-10+;
InChIKeyGREPGRWJWGDEMH-ASTDGNLGSA-N
MW195.35 g/mol
LogP4.75
Rot. Bonds5

About propane;N-prop-1-en-2-ylhept-1-en-3-imine

propane;N-prop-1-en-2-ylhept-1-en-3-imine (PubChem CID 143101176) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is propane;N-prop-1-en-2-ylhept-1-en-3-imine.

Molecular Properties

Compound Namepropane;N-prop-1-en-2-ylhept-1-en-3-imine
PubChem CID143101176
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Namepropane;N-prop-1-en-2-ylhept-1-en-3-imine
SMILESC=C/C(CCCC)=N\C(=C)C.CCC
InChIInChI=1S/C10H17N.C3H8/c1-5-7-8-10(6-2)11-9(3)4;1-3-2/h6H,2-3,5,7-8H2,1,4H3;3H2,1-2H3/b11-10+;
InChIKeyGREPGRWJWGDEMH-ASTDGNLGSA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.75
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 propane;N-prop-1-en-2-ylhept-1-en-3-imine?
The IUPAC name of propane;N-prop-1-en-2-ylhept-1-en-3-imine (CID 143101176) is propane;N-prop-1-en-2-ylhept-1-en-3-imine.
What is the SMILES notation for propane;N-prop-1-en-2-ylhept-1-en-3-imine?
The canonical SMILES for propane;N-prop-1-en-2-ylhept-1-en-3-imine is C=C/C(CCCC)=N\C(=C)C.CCC.
What is the InChIKey of propane;N-prop-1-en-2-ylhept-1-en-3-imine?
The InChIKey is GREPGRWJWGDEMH-ASTDGNLGSA-N. The full InChI is InChI=1S/C10H17N.C3H8/c1-5-7-8-10(6-2)11-9(3)4;1-3-2/h6H,2-3,5,7-8H2,1,4H3;3H2,1-2H3/b11-10+;.
What are the key properties of propane;N-prop-1-en-2-ylhept-1-en-3-imine?
propane;N-prop-1-en-2-ylhept-1-en-3-imine has a molecular weight of 195.35 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;N-prop-1-en-2-ylhept-1-en-3-imine is sourced from PubChem (CID 143101176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).