5-(diethylamino)-2-[4-(4-ethylcyclohexa-2,4-dien-1-yl)pentyliminomethyl]cyclohex-2-en-1-one

C24H38N2O — CID 123568292

IUPAC5-(diethylamino)-2-[4-(4-ethylcyclohexa-2,4-dien-1-yl)pentyliminomethyl]cyclohex-2-en-1-one
SMILESCCC1=CCC(C(C)CCC/N=C/C2=CCC(N(CC)CC)CC2=O)C=C1
InChIInChI=1S/C24H38N2O/c1-5-20-10-12-21(13-11-20)19(4)9-8-16-25-18-22-14-15-23(17-24(22)27)26(6-2)7-3/h10-12,14,18-19,21,23H,5-9,13,15-17H2,1-4H3/b25-18+
InChIKeyARCUVFPRPWXNQW-XIEYBQDHSA-N
MW370.58 g/mol
LogP5.39
Rot. Bonds10

About 5-(diethylamino)-2-[4-(4-ethylcyclohexa-2,4-dien-1-yl)pentyliminomethyl]cyclohex-2-en-1-one

5-(diethylamino)-2-[4-(4-ethylcyclohexa-2,4-dien-1-yl)pentyliminomethyl]cyclohex-2-en-1-one (PubChem CID 123568292) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is 5-(diethylamino)-2-[4-(4-ethylcyclohexa-2,4-dien-1-yl)pentyliminomethyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(diethylamino)-2-[4-(4-ethylcyclohexa-2,4-dien-1-yl)pentyliminomethyl]cyclohex-2-en-1-one
PubChem CID123568292
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC Name5-(diethylamino)-2-[4-(4-ethylcyclohexa-2,4-dien-1-yl)pentyliminomethyl]cyclohex-2-en-1-one
SMILESCCC1=CCC(C(C)CCC/N=C/C2=CCC(N(CC)CC)CC2=O)C=C1
InChIInChI=1S/C24H38N2O/c1-5-20-10-12-21(13-11-20)19(4)9-8-16-25-18-22-14-15-23(17-24(22)27)26(6-2)7-3/h10-12,14,18-19,21,23H,5-9,13,15-17H2,1-4H3/b25-18+
InChIKeyARCUVFPRPWXNQW-XIEYBQDHSA-N
XLogP5.39
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[4-(4-ethylcyclohexa-2,4-dien-1-yl)pentyliminomethyl]cyclohex-2-en-1-one?
The IUPAC name of 5-(diethylamino)-2-[4-(4-ethylcyclohexa-2,4-dien-1-yl)pentyliminomethyl]cyclohex-2-en-1-one (CID 123568292) is 5-(diethylamino)-2-[4-(4-ethylcyclohexa-2,4-dien-1-yl)pentyliminomethyl]cyclohex-2-en-1-one.
What is the SMILES notation for 5-(diethylamino)-2-[4-(4-ethylcyclohexa-2,4-dien-1-yl)pentyliminomethyl]cyclohex-2-en-1-one?
The canonical SMILES for 5-(diethylamino)-2-[4-(4-ethylcyclohexa-2,4-dien-1-yl)pentyliminomethyl]cyclohex-2-en-1-one is CCC1=CCC(C(C)CCC/N=C/C2=CCC(N(CC)CC)CC2=O)C=C1.
What is the InChIKey of 5-(diethylamino)-2-[4-(4-ethylcyclohexa-2,4-dien-1-yl)pentyliminomethyl]cyclohex-2-en-1-one?
The InChIKey is ARCUVFPRPWXNQW-XIEYBQDHSA-N. The full InChI is InChI=1S/C24H38N2O/c1-5-20-10-12-21(13-11-20)19(4)9-8-16-25-18-22-14-15-23(17-24(22)27)26(6-2)7-3/h10-12,14,18-19,21,23H,5-9,13,15-17H2,1-4H3/b25-18+.
What are the key properties of 5-(diethylamino)-2-[4-(4-ethylcyclohexa-2,4-dien-1-yl)pentyliminomethyl]cyclohex-2-en-1-one?
5-(diethylamino)-2-[4-(4-ethylcyclohexa-2,4-dien-1-yl)pentyliminomethyl]cyclohex-2-en-1-one has a molecular weight of 370.58 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[4-(4-ethylcyclohexa-2,4-dien-1-yl)pentyliminomethyl]cyclohex-2-en-1-one is sourced from PubChem (CID 123568292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).