N-ethyloct-1-en-3-imine

C10H19N — CID 123343256

IUPACN-ethyloct-1-en-3-imine
SMILESC=C/C(CCCCC)=N\CC
InChIInChI=1S/C10H19N/c1-4-7-8-9-10(5-2)11-6-3/h5H,2,4,6-9H2,1,3H3/b11-10+
InChIKeyXCTRXQJDUHFKMI-ZHACJKMWSA-N
MW153.27 g/mol
LogP3.21
Rot. Bonds6

About N-ethyloct-1-en-3-imine

N-ethyloct-1-en-3-imine (PubChem CID 123343256) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-ethyloct-1-en-3-imine.

Molecular Properties

Compound NameN-ethyloct-1-en-3-imine
PubChem CID123343256
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-ethyloct-1-en-3-imine
SMILESC=C/C(CCCCC)=N\CC
InChIInChI=1S/C10H19N/c1-4-7-8-9-10(5-2)11-6-3/h5H,2,4,6-9H2,1,3H3/b11-10+
InChIKeyXCTRXQJDUHFKMI-ZHACJKMWSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.21
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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Related Compounds

N-methyl-methyl-3-pentenylidenimine
CID 123242629
7-ethenyl-3,4,5,6-tetrahydro-2H-azepine
CID 134988764
4-N,7-N-dimethyldeca-1,9-diene-4,7-diimine
CID 57201163
2-Hexylazete
CID 57244791
N-methylhept-6-en-3-imine
CID 85546229
N-methyloct-2-en-4-imine
CID 91039645
N-methylhept-6-en-2-imine
CID 91486041
2-Ethenyl-1-azacycloundecene
CID 118247983
N-hexyl-4-methylpent-1-en-3-imine
CID 123163517
N-cyclohexylpent-1-en-3-imine
CID 123703101
3-N,4-N-dimethylhex-1-ene-3,4-diimine
CID 123761009
N-ethylhex-5-en-2-imine
CID 123797078

Frequently Asked Questions

What is the IUPAC name of N-ethyloct-1-en-3-imine?
The IUPAC name of N-ethyloct-1-en-3-imine (CID 123343256) is N-ethyloct-1-en-3-imine.
What is the SMILES notation for N-ethyloct-1-en-3-imine?
The canonical SMILES for N-ethyloct-1-en-3-imine is C=C/C(CCCCC)=N\CC.
What is the InChIKey of N-ethyloct-1-en-3-imine?
The InChIKey is XCTRXQJDUHFKMI-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H19N/c1-4-7-8-9-10(5-2)11-6-3/h5H,2,4,6-9H2,1,3H3/b11-10+.
What are the key properties of N-ethyloct-1-en-3-imine?
N-ethyloct-1-en-3-imine has a molecular weight of 153.27 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyloct-1-en-3-imine is sourced from PubChem (CID 123343256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).