N-ethylhex-5-en-2-imine

C8H15N — CID 123797078

IUPACN-ethylhex-5-en-2-imine
SMILESC=CCC/C(C)=N/CC
InChIInChI=1S/C8H15N/c1-4-6-7-8(3)9-5-2/h4H,1,5-7H2,2-3H3/b9-8+
InChIKeyFBQVEZQQOLPMGY-CMDGGOBGSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds4

About N-ethylhex-5-en-2-imine

N-ethylhex-5-en-2-imine (PubChem CID 123797078) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-ethylhex-5-en-2-imine.

Molecular Properties

Compound NameN-ethylhex-5-en-2-imine
PubChem CID123797078
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-ethylhex-5-en-2-imine
SMILESC=CCC/C(C)=N/CC
InChIInChI=1S/C8H15N/c1-4-6-7-8(3)9-5-2/h4H,1,5-7H2,2-3H3/b9-8+
InChIKeyFBQVEZQQOLPMGY-CMDGGOBGSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methylpent-4-en-2-imine
CID 91448417
N-methyl-methyl-3-pentenylidenimine
CID 123242629
2-Methyl-3,4-dihydropyridine
CID 14979252
2-Ethyl-4-methyl-2-prop-2-enylimidazole
CID 20453560
N-pent-4-en-2-ylpropan-1-imine
CID 21051437
N-methylpent-1-en-3-imine
CID 21718389
Allyl-(1-methyl-pent-4-enylidene)-amine
CID 22036666
2-ethyl-3H-pyrrole
CID 53796256
N-methylhex-5-en-2-imine
CID 85546224
N-methylhept-6-en-3-imine
CID 85546229
N-methylhex-5-en-1-imine
CID 85563179
N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 88892313

Frequently Asked Questions

What is the IUPAC name of N-ethylhex-5-en-2-imine?
The IUPAC name of N-ethylhex-5-en-2-imine (CID 123797078) is N-ethylhex-5-en-2-imine.
What is the SMILES notation for N-ethylhex-5-en-2-imine?
The canonical SMILES for N-ethylhex-5-en-2-imine is C=CCC/C(C)=N/CC.
What is the InChIKey of N-ethylhex-5-en-2-imine?
The InChIKey is FBQVEZQQOLPMGY-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-7-8(3)9-5-2/h4H,1,5-7H2,2-3H3/b9-8+.
What are the key properties of N-ethylhex-5-en-2-imine?
N-ethylhex-5-en-2-imine 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-ethylhex-5-en-2-imine is sourced from PubChem (CID 123797078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).