1-cyclopent-2-en-1-yl-N-(3-ethylcyclooctyl)butan-2-imine

C19H33N — CID 123339531

IUPAC1-cyclopent-2-en-1-yl-N-(3-ethylcyclooctyl)butan-2-imine
SMILESCC/C(CC1C=CCC1)=N\C1CCCCCC(CC)C1
InChIInChI=1S/C19H33N/c1-3-16-10-6-5-7-13-19(14-16)20-18(4-2)15-17-11-8-9-12-17/h8,11,16-17,19H,3-7,9-10,12-15H2,1-2H3/b20-18+
InChIKeySPSFOXGXYNLOBL-CZIZESTLSA-N
MW275.48 g/mol
LogP5.94
Rot. Bonds5

About 1-cyclopent-2-en-1-yl-N-(3-ethylcyclooctyl)butan-2-imine

1-cyclopent-2-en-1-yl-N-(3-ethylcyclooctyl)butan-2-imine (PubChem CID 123339531) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-cyclopent-2-en-1-yl-N-(3-ethylcyclooctyl)butan-2-imine.

Molecular Properties

Compound Name1-cyclopent-2-en-1-yl-N-(3-ethylcyclooctyl)butan-2-imine
PubChem CID123339531
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-cyclopent-2-en-1-yl-N-(3-ethylcyclooctyl)butan-2-imine
SMILESCC/C(CC1C=CCC1)=N\C1CCCCCC(CC)C1
InChIInChI=1S/C19H33N/c1-3-16-10-6-5-7-13-19(14-16)20-18(4-2)15-17-11-8-9-12-17/h8,11,16-17,19H,3-7,9-10,12-15H2,1-2H3/b20-18+
InChIKeySPSFOXGXYNLOBL-CZIZESTLSA-N
XLogP5.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.94
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

Lanopylin A1
CID 9883534
5-Methyl-4-(15-methylhexadecylidene)-3,4-dihydro-2H-pyrrole
CID 71374075
Lanopylin A2
CID 11427950
(4Z)-5-methyl-4-(15-methylhexadecylidene)-2,3-dihydropyrrole
CID 20732637
5-Methyl-4-(17-methyloctadec-12-enylidene)-2,3-dihydropyrrole
CID 72957572
(E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine
CID 170616648
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
(4S)-5-methyl-4-[(Z)-tridec-5-enyl]-3,4-dihydro-2H-pyrrole
CID 162967188
(4S)-5-methyl-4-[(Z)-pentadec-7-enyl]-3,4-dihydro-2H-pyrrole
CID 163028765
3,4-Dihydro-5-methyl-4-[(7Z)-pentadecenyl]-2H-pyrrole
CID 5369018
2,4,6-Tri(cyclooctyl)-2,5-dihydropyridine
CID 54201122

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-2-en-1-yl-N-(3-ethylcyclooctyl)butan-2-imine?
The IUPAC name of 1-cyclopent-2-en-1-yl-N-(3-ethylcyclooctyl)butan-2-imine (CID 123339531) is 1-cyclopent-2-en-1-yl-N-(3-ethylcyclooctyl)butan-2-imine.
What is the SMILES notation for 1-cyclopent-2-en-1-yl-N-(3-ethylcyclooctyl)butan-2-imine?
The canonical SMILES for 1-cyclopent-2-en-1-yl-N-(3-ethylcyclooctyl)butan-2-imine is CC/C(CC1C=CCC1)=N\C1CCCCCC(CC)C1.
What is the InChIKey of 1-cyclopent-2-en-1-yl-N-(3-ethylcyclooctyl)butan-2-imine?
The InChIKey is SPSFOXGXYNLOBL-CZIZESTLSA-N. The full InChI is InChI=1S/C19H33N/c1-3-16-10-6-5-7-13-19(14-16)20-18(4-2)15-17-11-8-9-12-17/h8,11,16-17,19H,3-7,9-10,12-15H2,1-2H3/b20-18+.
What are the key properties of 1-cyclopent-2-en-1-yl-N-(3-ethylcyclooctyl)butan-2-imine?
1-cyclopent-2-en-1-yl-N-(3-ethylcyclooctyl)butan-2-imine has a molecular weight of 275.48 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-2-en-1-yl-N-(3-ethylcyclooctyl)butan-2-imine is sourced from PubChem (CID 123339531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).