(E)-N-methyl-6-propylnon-3-en-5-imine

C13H25N — CID 153374577

IUPAC(E)-N-methyl-6-propylnon-3-en-5-imine
SMILESCC/C=C/C(=N\C)C(CCC)CCC
InChIInChI=1S/C13H25N/c1-5-8-11-13(14-4)12(9-6-2)10-7-3/h8,11-12H,5-7,9-10H2,1-4H3/b11-8+,14-13+
InChIKeyBHKBPZJJEVYPMG-ZOBWXTBZSA-N
MW195.35 g/mol
LogP4.24
Rot. Bonds7

About (E)-N-methyl-6-propylnon-3-en-5-imine

(E)-N-methyl-6-propylnon-3-en-5-imine (PubChem CID 153374577) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (E)-N-methyl-6-propylnon-3-en-5-imine.

Molecular Properties

Compound Name(E)-N-methyl-6-propylnon-3-en-5-imine
PubChem CID153374577
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(E)-N-methyl-6-propylnon-3-en-5-imine
SMILESCC/C=C/C(=N\C)C(CCC)CCC
InChIInChI=1S/C13H25N/c1-5-8-11-13(14-4)12(9-6-2)10-7-3/h8,11-12H,5-7,9-10H2,1-4H3/b11-8+,14-13+
InChIKeyBHKBPZJJEVYPMG-ZOBWXTBZSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.24
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 (E)-N-methyl-6-propylnon-3-en-5-imine?
The IUPAC name of (E)-N-methyl-6-propylnon-3-en-5-imine (CID 153374577) is (E)-N-methyl-6-propylnon-3-en-5-imine.
What is the SMILES notation for (E)-N-methyl-6-propylnon-3-en-5-imine?
The canonical SMILES for (E)-N-methyl-6-propylnon-3-en-5-imine is CC/C=C/C(=N\C)C(CCC)CCC.
What is the InChIKey of (E)-N-methyl-6-propylnon-3-en-5-imine?
The InChIKey is BHKBPZJJEVYPMG-ZOBWXTBZSA-N. The full InChI is InChI=1S/C13H25N/c1-5-8-11-13(14-4)12(9-6-2)10-7-3/h8,11-12H,5-7,9-10H2,1-4H3/b11-8+,14-13+.
What are the key properties of (E)-N-methyl-6-propylnon-3-en-5-imine?
(E)-N-methyl-6-propylnon-3-en-5-imine has a molecular weight of 195.35 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-6-propylnon-3-en-5-imine is sourced from PubChem (CID 153374577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).