1-[7-ethyl-5-(2-ethyl-4-imino-1-methylcyclohex-2-en-1-yl)-2,6-dimethylcyclononyl]ethanone

C24H41NO — CID 143857915

IUPAC1-[7-ethyl-5-(2-ethyl-4-imino-1-methylcyclohex-2-en-1-yl)-2,6-dimethylcyclononyl]ethanone
SMILES[H]/N=C1/C=C(CC)C(C)(C2CCC(C)C(C(C)=O)CCC(CC)C2C)CC1
InChIInChI=1S/C24H41NO/c1-7-19-10-11-22(18(5)26)16(3)9-12-23(17(19)4)24(6)14-13-21(25)15-20(24)8-2/h15-17,19,22-23,25H,7-14H2,1-6H3/b25-21+
InChIKeyOOEPIIPFFFNFNM-NJNXFGOHSA-N
MW359.60 g/mol
LogP6.84
Rot. Bonds4

About 1-[7-ethyl-5-(2-ethyl-4-imino-1-methylcyclohex-2-en-1-yl)-2,6-dimethylcyclononyl]ethanone

1-[7-ethyl-5-(2-ethyl-4-imino-1-methylcyclohex-2-en-1-yl)-2,6-dimethylcyclononyl]ethanone (PubChem CID 143857915) has the molecular formula C24H41NO and a molecular weight of 359.60 g/mol. Its IUPAC name is 1-[7-ethyl-5-(2-ethyl-4-imino-1-methylcyclohex-2-en-1-yl)-2,6-dimethylcyclononyl]ethanone.

Molecular Properties

Compound Name1-[7-ethyl-5-(2-ethyl-4-imino-1-methylcyclohex-2-en-1-yl)-2,6-dimethylcyclononyl]ethanone
PubChem CID143857915
Molecular FormulaC24H41NO
Molecular Weight359.60 g/mol
Exact Mass359.32
IUPAC Name1-[7-ethyl-5-(2-ethyl-4-imino-1-methylcyclohex-2-en-1-yl)-2,6-dimethylcyclononyl]ethanone
SMILES[H]/N=C1/C=C(CC)C(C)(C2CCC(C)C(C(C)=O)CCC(CC)C2C)CC1
InChIInChI=1S/C24H41NO/c1-7-19-10-11-22(18(5)26)16(3)9-12-23(17(19)4)24(6)14-13-21(25)15-20(24)8-2/h15-17,19,22-23,25H,7-14H2,1-6H3/b25-21+
InChIKeyOOEPIIPFFFNFNM-NJNXFGOHSA-N
XLogP6.84
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[7-ethyl-5-(2-ethyl-4-imino-1-methylcyclohex-2-en-1-yl)-2,6-dimethylcyclononyl]ethanone with MolForge

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Related Compounds

3-Imino-5,5-dimethyl-2-(3,6,7-trimethylideneundeca-4,8,10-trien-2-yl)cyclohexan-1-one
CID 90711489
(9E,12E)-13-ethyl-8-imino-4,9,10,15-tetramethyl-5-(3-methylbut-1-en-2-yl)hexadeca-9,12-dien-2-one
CID 90875133
10-Ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione
CID 91000485
5-Ethanimidoyl-2,6,6-trimethyl-1-[1-methyl-2-(3-oxobutan-2-yl)cyclopropyl]hept-2-en-4-one
CID 91076788
(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one
CID 123151880
4,5-Dimethyl-6-propanimidoyldeca-1,6-dien-3-one
CID 123237655
9-Imino-3,7,10-trimethylundeca-7,10-dien-2-one
CID 123272303
6-Imino-2,7,9-trimethyl-1-(3-propylidenecyclobutylidene)decan-5-one
CID 123497107
5-Imino-2,15-dimethyltricyclo[8.7.0.02,7]heptadec-6-en-14-one
CID 123635917
(Z)-5-(4-iminopentan-2-yl)-5-methyldec-7-en-4-one
CID 129233475
3-(4-Methylpent-4-enyl)-2-propanimidoyl-5,5-dipropylcyclohex-2-en-1-one
CID 135135722
3-Heptyl-2-propanimidoyl-5,5-dipropylcyclohex-2-en-1-one
CID 135135776

Frequently Asked Questions

What is the IUPAC name of 1-[7-ethyl-5-(2-ethyl-4-imino-1-methylcyclohex-2-en-1-yl)-2,6-dimethylcyclononyl]ethanone?
The IUPAC name of 1-[7-ethyl-5-(2-ethyl-4-imino-1-methylcyclohex-2-en-1-yl)-2,6-dimethylcyclononyl]ethanone (CID 143857915) is 1-[7-ethyl-5-(2-ethyl-4-imino-1-methylcyclohex-2-en-1-yl)-2,6-dimethylcyclononyl]ethanone.
What is the SMILES notation for 1-[7-ethyl-5-(2-ethyl-4-imino-1-methylcyclohex-2-en-1-yl)-2,6-dimethylcyclononyl]ethanone?
The canonical SMILES for 1-[7-ethyl-5-(2-ethyl-4-imino-1-methylcyclohex-2-en-1-yl)-2,6-dimethylcyclononyl]ethanone is [H]/N=C1/C=C(CC)C(C)(C2CCC(C)C(C(C)=O)CCC(CC)C2C)CC1.
What is the InChIKey of 1-[7-ethyl-5-(2-ethyl-4-imino-1-methylcyclohex-2-en-1-yl)-2,6-dimethylcyclononyl]ethanone?
The InChIKey is OOEPIIPFFFNFNM-NJNXFGOHSA-N. The full InChI is InChI=1S/C24H41NO/c1-7-19-10-11-22(18(5)26)16(3)9-12-23(17(19)4)24(6)14-13-21(25)15-20(24)8-2/h15-17,19,22-23,25H,7-14H2,1-6H3/b25-21+.
What are the key properties of 1-[7-ethyl-5-(2-ethyl-4-imino-1-methylcyclohex-2-en-1-yl)-2,6-dimethylcyclononyl]ethanone?
1-[7-ethyl-5-(2-ethyl-4-imino-1-methylcyclohex-2-en-1-yl)-2,6-dimethylcyclononyl]ethanone has a molecular weight of 359.60 g/mol, XLogP of 6.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-ethyl-5-(2-ethyl-4-imino-1-methylcyclohex-2-en-1-yl)-2,6-dimethylcyclononyl]ethanone is sourced from PubChem (CID 143857915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).