N-hex-1-enylethanimine

C8H15N — CID 54367457

IUPACN-hex-1-enylethanimine
SMILESC/C=N/C=CCCCC
InChIInChI=1S/C8H15N/c1-3-5-6-7-8-9-4-2/h4,7-8H,3,5-6H2,1-2H3/b8-7?,9-4+
InChIKeyUQTJVOUWBLXKRT-RUSQRLDKSA-N
MW125.21 g/mol
LogP2.78
Rot. Bonds4

About N-hex-1-enylethanimine

N-hex-1-enylethanimine (PubChem CID 54367457) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-hex-1-enylethanimine.

Molecular Properties

Compound NameN-hex-1-enylethanimine
PubChem CID54367457
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-hex-1-enylethanimine
SMILESC/C=N/C=CCCCC
InChIInChI=1S/C8H15N/c1-3-5-6-7-8-9-4-2/h4,7-8H,3,5-6H2,1-2H3/b8-7?,9-4+
InChIKeyUQTJVOUWBLXKRT-RUSQRLDKSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.78
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hex-1-enylethanimine?
The IUPAC name of N-hex-1-enylethanimine (CID 54367457) is N-hex-1-enylethanimine.
What is the SMILES notation for N-hex-1-enylethanimine?
The canonical SMILES for N-hex-1-enylethanimine is C/C=N/C=CCCCC.
What is the InChIKey of N-hex-1-enylethanimine?
The InChIKey is UQTJVOUWBLXKRT-RUSQRLDKSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-6-7-8-9-4-2/h4,7-8H,3,5-6H2,1-2H3/b8-7?,9-4+.
What are the key properties of N-hex-1-enylethanimine?
N-hex-1-enylethanimine has a molecular weight of 125.21 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-enylethanimine is sourced from PubChem (CID 54367457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).