5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine

C15H27N — CID 123403001

IUPAC5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine
SMILESCCCCC/N=C1\C=CCC(CC)CC1C
InChIInChI=1S/C15H27N/c1-4-6-7-11-16-15-10-8-9-14(5-2)12-13(15)3/h8,10,13-14H,4-7,9,11-12H2,1-3H3/b16-15+
InChIKeyFUSBXWUQGUHNIT-FOCLMDBBSA-N
MW221.39 g/mol
LogP4.63
Rot. Bonds5

About 5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine

5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine (PubChem CID 123403001) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine.

Molecular Properties

Compound Name5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine
PubChem CID123403001
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine
SMILESCCCCC/N=C1\C=CCC(CC)CC1C
InChIInChI=1S/C15H27N/c1-4-6-7-11-16-15-10-8-9-14(5-2)12-13(15)3/h8,10,13-14H,4-7,9,11-12H2,1-3H3/b16-15+
InChIKeyFUSBXWUQGUHNIT-FOCLMDBBSA-N
XLogP4.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.63
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

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3-Ethyl-10-fluoro-2-azabicyclo[5.4.1]dodeca-2,4,8,10-tetraene
CID 146580857
(5S)-N-ethyl-7-fluoro-5,6-dimethylcyclohept-2-en-1-imine
CID 173683200
(4Z,9Z)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 11298264
(3aR,4Z,9Z,10aS)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 102274163
5-hept-1-en-4-yl-3,4-dihydro-2H-pyrrole
CID 134864048
1-Methyl-2-azaspiro[5.5]undeca-1,9-diene
CID 154719804
3,4,4a,5-tetrahydro-2H-cyclopenta[b]pyridine
CID 164669517
(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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine?
The IUPAC name of 5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine (CID 123403001) is 5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine.
What is the SMILES notation for 5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine?
The canonical SMILES for 5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine is CCCCC/N=C1\C=CCC(CC)CC1C.
What is the InChIKey of 5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine?
The InChIKey is FUSBXWUQGUHNIT-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H27N/c1-4-6-7-11-16-15-10-8-9-14(5-2)12-13(15)3/h8,10,13-14H,4-7,9,11-12H2,1-3H3/b16-15+.
What are the key properties of 5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine?
5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine has a molecular weight of 221.39 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methyl-N-pentylcyclohept-2-en-1-imine is sourced from PubChem (CID 123403001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).