N-[(E)-2-(7-ethylcyclohept-2-en-1-yl)pent-1-enyl]ethanimine

C16H27N — CID 91210811

IUPACN-[(E)-2-(7-ethylcyclohept-2-en-1-yl)pent-1-enyl]ethanimine
SMILESC/C=N/C=C(\CCC)C1C=CCCCC1CC
InChIInChI=1S/C16H27N/c1-4-10-15(13-17-6-3)16-12-9-7-8-11-14(16)5-2/h6,9,12-14,16H,4-5,7-8,10-11H2,1-3H3/b15-13+,17-6+
InChIKeyWJZNPMQTRWAPLQ-GKTIZVKSSA-N
MW233.40 g/mol
LogP5.14
Rot. Bonds5

About N-[(E)-2-(7-ethylcyclohept-2-en-1-yl)pent-1-enyl]ethanimine

N-[(E)-2-(7-ethylcyclohept-2-en-1-yl)pent-1-enyl]ethanimine (PubChem CID 91210811) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[(E)-2-(7-ethylcyclohept-2-en-1-yl)pent-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-2-(7-ethylcyclohept-2-en-1-yl)pent-1-enyl]ethanimine
PubChem CID91210811
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[(E)-2-(7-ethylcyclohept-2-en-1-yl)pent-1-enyl]ethanimine
SMILESC/C=N/C=C(\CCC)C1C=CCCCC1CC
InChIInChI=1S/C16H27N/c1-4-10-15(13-17-6-3)16-12-9-7-8-11-14(16)5-2/h6,9,12-14,16H,4-5,7-8,10-11H2,1-3H3/b15-13+,17-6+
InChIKeyWJZNPMQTRWAPLQ-GKTIZVKSSA-N
XLogP5.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.14
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(7-ethylcyclohept-2-en-1-yl)pent-1-enyl]ethanimine?
The IUPAC name of N-[(E)-2-(7-ethylcyclohept-2-en-1-yl)pent-1-enyl]ethanimine (CID 91210811) is N-[(E)-2-(7-ethylcyclohept-2-en-1-yl)pent-1-enyl]ethanimine.
What is the SMILES notation for N-[(E)-2-(7-ethylcyclohept-2-en-1-yl)pent-1-enyl]ethanimine?
The canonical SMILES for N-[(E)-2-(7-ethylcyclohept-2-en-1-yl)pent-1-enyl]ethanimine is C/C=N/C=C(\CCC)C1C=CCCCC1CC.
What is the InChIKey of N-[(E)-2-(7-ethylcyclohept-2-en-1-yl)pent-1-enyl]ethanimine?
The InChIKey is WJZNPMQTRWAPLQ-GKTIZVKSSA-N. The full InChI is InChI=1S/C16H27N/c1-4-10-15(13-17-6-3)16-12-9-7-8-11-14(16)5-2/h6,9,12-14,16H,4-5,7-8,10-11H2,1-3H3/b15-13+,17-6+.
What are the key properties of N-[(E)-2-(7-ethylcyclohept-2-en-1-yl)pent-1-enyl]ethanimine?
N-[(E)-2-(7-ethylcyclohept-2-en-1-yl)pent-1-enyl]ethanimine has a molecular weight of 233.40 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(7-ethylcyclohept-2-en-1-yl)pent-1-enyl]ethanimine is sourced from PubChem (CID 91210811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).