N-hex-5-enylethenimine

C8H13N — CID 59819025

IUPACN-hex-5-enylethenimine
SMILESC=C=NCCCCC=C
InChIInChI=1S/C8H13N/c1-3-5-6-7-8-9-4-2/h3H,1-2,5-8H2
InChIKeyFZJXBHVOQPRBLV-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.20
Rot. Bonds5

About N-hex-5-enylethenimine

N-hex-5-enylethenimine (PubChem CID 59819025) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-hex-5-enylethenimine.

Molecular Properties

Compound NameN-hex-5-enylethenimine
PubChem CID59819025
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-hex-5-enylethenimine
SMILESC=C=NCCCCC=C
InChIInChI=1S/C8H13N/c1-3-5-6-7-8-9-4-2/h3H,1-2,5-8H2
InChIKeyFZJXBHVOQPRBLV-UHFFFAOYSA-N
XLogP2.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.20
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hex-5-enylethenimine?
The IUPAC name of N-hex-5-enylethenimine (CID 59819025) is N-hex-5-enylethenimine.
What is the SMILES notation for N-hex-5-enylethenimine?
The canonical SMILES for N-hex-5-enylethenimine is C=C=NCCCCC=C.
What is the InChIKey of N-hex-5-enylethenimine?
The InChIKey is FZJXBHVOQPRBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-5-6-7-8-9-4-2/h3H,1-2,5-8H2.
What are the key properties of N-hex-5-enylethenimine?
N-hex-5-enylethenimine has a molecular weight of 123.20 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-enylethenimine is sourced from PubChem (CID 59819025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).