1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole

C25H39N — CID 170603207

IUPAC1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole
SMILESC=C1C(CC2CCC(C)CC2)=CC2=C(C1CC)C(C)(C)CN2C(=C)CC
InChIInChI=1S/C25H39N/c1-8-18(4)26-16-25(6,7)24-22(9-2)19(5)21(15-23(24)26)14-20-12-10-17(3)11-13-20/h15,17,20,22H,4-5,8-14,16H2,1-3,6-7H3
InChIKeyQFXVYIMXGUBMTE-UHFFFAOYSA-N
MW353.59 g/mol
LogP7.24
Rot. Bonds5

About 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole

1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole (PubChem CID 170603207) has the molecular formula C25H39N and a molecular weight of 353.59 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole
PubChem CID170603207
Molecular FormulaC25H39N
Molecular Weight353.59 g/mol
Exact Mass353.31
IUPAC Name1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole
SMILESC=C1C(CC2CCC(C)CC2)=CC2=C(C1CC)C(C)(C)CN2C(=C)CC
InChIInChI=1S/C25H39N/c1-8-18(4)26-16-25(6,7)24-22(9-2)19(5)21(15-23(24)26)14-20-12-10-17(3)11-13-20/h15,17,20,22H,4-5,8-14,16H2,1-3,6-7H3
InChIKeyQFXVYIMXGUBMTE-UHFFFAOYSA-N
XLogP7.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole with MolForge

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Related Compounds

N-[2-(4-fluoro-9,9-dimethylcyclononen-1-yl)ethyl]-N,3,5,5,6-pentamethyl-4-(3,7,8-trimethylnonan-2-yl)cyclohexa-1,3-dien-1-amine
CID 124035592
(6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine
CID 135295121
N-[4-(6-ethyl-3,5-difluorocyclohexa-1,3-dien-1-yl)-3,3,4-trimethylpentan-2-yl]-N,6-dimethylcyclohexa-1,5-dien-1-amine
CID 155106139
2-(2-Fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-propan-2-yl-2-azaspiro[3.5]nonane
CID 176552689
2-(2-Fluoro-6-methylcyclohexa-1,5-dien-1-yl)-7-methyl-2-azaspiro[3.5]nonane
CID 176552888
7-Ethyl-2-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)-2-azaspiro[3.5]nonane
CID 176552968
N-ethyl-2,3-dimethyl-3-(4-methylcyclohex-3-en-1-yl)-N-prop-1-en-2-ylbutan-1-amine
CID 68302337
(2S)-1-[(2E)-2-ethylidene-1,3,3-trimethyl-4,5-dihydro-1H-inden-5-yl]-2-pent-4-enyl-2,3,4,5-tetrahydroindole
CID 68307479
5-Ethyl-1-(3-ethylcyclohexyl)-5,6-dihydroindole
CID 70849848
5-Ethyl-1-(3-ethylcyclohexyl)-2,3,5,6-tetrahydroindole
CID 70849952
(2E)-2-ethylidene-3,3,5-trimethyl-1-propyl-4,5-dihydroindole
CID 71108314
9-(4-Hexylcyclohexa-1,3-dien-1-yl)-3,4,4b,8a-tetrahydrocarbazole
CID 71134578

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole?
The IUPAC name of 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole (CID 170603207) is 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole.
What is the SMILES notation for 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole?
The canonical SMILES for 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole is C=C1C(CC2CCC(C)CC2)=CC2=C(C1CC)C(C)(C)CN2C(=C)CC.
What is the InChIKey of 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole?
The InChIKey is QFXVYIMXGUBMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N/c1-8-18(4)26-16-25(6,7)24-22(9-2)19(5)21(15-23(24)26)14-20-12-10-17(3)11-13-20/h15,17,20,22H,4-5,8-14,16H2,1-3,6-7H3.
What are the key properties of 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole?
1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole has a molecular weight of 353.59 g/mol, XLogP of 7.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole is sourced from PubChem (CID 170603207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).