N-hex-4-enylethanimine

C8H15N — CID 123718619

IUPACN-hex-4-enylethanimine
SMILESCC=CCCC/N=C/C
InChIInChI=1S/C8H15N/c1-3-5-6-7-8-9-4-2/h3-5H,6-8H2,1-2H3/b5-3?,9-4+
InChIKeyNFTGYOUWWVVGIW-TVWRHFHJSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds4

About N-hex-4-enylethanimine

N-hex-4-enylethanimine (PubChem CID 123718619) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-hex-4-enylethanimine.

Molecular Properties

Compound NameN-hex-4-enylethanimine
PubChem CID123718619
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-hex-4-enylethanimine
SMILESCC=CCCC/N=C/C
InChIInChI=1S/C8H15N/c1-3-5-6-7-8-9-4-2/h3-5H,6-8H2,1-2H3/b5-3?,9-4+
InChIKeyNFTGYOUWWVVGIW-TVWRHFHJSA-N
XLogP2.43
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 ≤ 52.43
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-4-enylethanimine?
The IUPAC name of N-hex-4-enylethanimine (CID 123718619) is N-hex-4-enylethanimine.
What is the SMILES notation for N-hex-4-enylethanimine?
The canonical SMILES for N-hex-4-enylethanimine is CC=CCCC/N=C/C.
What is the InChIKey of N-hex-4-enylethanimine?
The InChIKey is NFTGYOUWWVVGIW-TVWRHFHJSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-6-7-8-9-4-2/h3-5H,6-8H2,1-2H3/b5-3?,9-4+.
What are the key properties of N-hex-4-enylethanimine?
N-hex-4-enylethanimine has a molecular weight of 125.21 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-4-enylethanimine is sourced from PubChem (CID 123718619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).