N-[(E)-2-ethenyl-3-pentylnon-1-enyl]propan-1-imine

C19H35N — CID 138705440

IUPACN-[(E)-2-ethenyl-3-pentylnon-1-enyl]propan-1-imine
SMILESC=C/C(=C\N=C\CC)C(CCCCC)CCCCCC
InChIInChI=1S/C19H35N/c1-5-9-11-13-15-19(14-12-10-6-2)18(8-4)17-20-16-7-3/h8,16-17,19H,4-7,9-15H2,1-3H3/b18-17+,20-16+
InChIKeyRMHWWFKGQJWFPD-NRNRGYKCSA-N
MW277.50 g/mol
LogP6.70
Rot. Bonds13

About N-[(E)-2-ethenyl-3-pentylnon-1-enyl]propan-1-imine

N-[(E)-2-ethenyl-3-pentylnon-1-enyl]propan-1-imine (PubChem CID 138705440) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is N-[(E)-2-ethenyl-3-pentylnon-1-enyl]propan-1-imine.

Molecular Properties

Compound NameN-[(E)-2-ethenyl-3-pentylnon-1-enyl]propan-1-imine
PubChem CID138705440
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC NameN-[(E)-2-ethenyl-3-pentylnon-1-enyl]propan-1-imine
SMILESC=C/C(=C\N=C\CC)C(CCCCC)CCCCCC
InChIInChI=1S/C19H35N/c1-5-9-11-13-15-19(14-12-10-6-2)18(8-4)17-20-16-7-3/h8,16-17,19H,4-7,9-15H2,1-3H3/b18-17+,20-16+
InChIKeyRMHWWFKGQJWFPD-NRNRGYKCSA-N
XLogP6.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-ethenyl-3-pentylnon-1-enyl]propan-1-imine?
The IUPAC name of N-[(E)-2-ethenyl-3-pentylnon-1-enyl]propan-1-imine (CID 138705440) is N-[(E)-2-ethenyl-3-pentylnon-1-enyl]propan-1-imine.
What is the SMILES notation for N-[(E)-2-ethenyl-3-pentylnon-1-enyl]propan-1-imine?
The canonical SMILES for N-[(E)-2-ethenyl-3-pentylnon-1-enyl]propan-1-imine is C=C/C(=C\N=C\CC)C(CCCCC)CCCCCC.
What is the InChIKey of N-[(E)-2-ethenyl-3-pentylnon-1-enyl]propan-1-imine?
The InChIKey is RMHWWFKGQJWFPD-NRNRGYKCSA-N. The full InChI is InChI=1S/C19H35N/c1-5-9-11-13-15-19(14-12-10-6-2)18(8-4)17-20-16-7-3/h8,16-17,19H,4-7,9-15H2,1-3H3/b18-17+,20-16+.
What are the key properties of N-[(E)-2-ethenyl-3-pentylnon-1-enyl]propan-1-imine?
N-[(E)-2-ethenyl-3-pentylnon-1-enyl]propan-1-imine has a molecular weight of 277.50 g/mol, XLogP of 6.70, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-ethenyl-3-pentylnon-1-enyl]propan-1-imine is sourced from PubChem (CID 138705440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).