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

C23H37N — CID 170603104

IUPAC1-butan-2-yl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole
SMILESC=C1CC2=C(C=C1CC1CCC(C)CC1)N(C(C)CC)CC2(C)C
InChIInChI=1S/C23H37N/c1-7-18(4)24-15-23(5,6)21-12-17(3)20(14-22(21)24)13-19-10-8-16(2)9-11-19/h14,16,18-19H,3,7-13,15H2,1-2,4-6H3
InChIKeyWYEMPMZPYQOFOJ-UHFFFAOYSA-N
MW327.56 g/mol
LogP6.48
Rot. Bonds4

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

1-butan-2-yl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole (PubChem CID 170603104) has the molecular formula C23H37N and a molecular weight of 327.56 g/mol. Its IUPAC name is 1-butan-2-yl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole.

Molecular Properties

Compound Name1-butan-2-yl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole
PubChem CID170603104
Molecular FormulaC23H37N
Molecular Weight327.56 g/mol
Exact Mass327.29
IUPAC Name1-butan-2-yl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole
SMILESC=C1CC2=C(C=C1CC1CCC(C)CC1)N(C(C)CC)CC2(C)C
InChIInChI=1S/C23H37N/c1-7-18(4)24-15-23(5,6)21-12-17(3)20(14-22(21)24)13-19-10-8-16(2)9-11-19/h14,16,18-19H,3,7-13,15H2,1-2,4-6H3
InChIKeyWYEMPMZPYQOFOJ-UHFFFAOYSA-N
XLogP6.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.56
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

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
1-[1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)cyclohexyl]-N,N-dimethylethanamine
CID 23295309
1-(4,5-dicyclohexylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
CID 23295316
(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
9-(4-Hexylcyclohexa-1,3-dien-1-yl)-3,4,4b,8a-tetrahydrocarbazole
CID 71134578
2-[(E)-2,3-bis(ethenyl)-6-(4-methylcyclohexyl)hept-1-enyl]-1-cyclohex-3-en-1-yl-3-ethyl-2,3,3a,6,7,7a-hexahydroindole
CID 88855686
2-N,7-N-di(cyclohexa-2,4-dien-1-yl)-9,9-dimethyl-2-N,7-N-bis(5-methylcyclohexa-1,5-dien-1-yl)-1,5,6,9a-tetrahydrofluorene-2,7-diamine
CID 89017120

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole?
The IUPAC name of 1-butan-2-yl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole (CID 170603104) is 1-butan-2-yl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole.
What is the SMILES notation for 1-butan-2-yl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole?
The canonical SMILES for 1-butan-2-yl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole is C=C1CC2=C(C=C1CC1CCC(C)CC1)N(C(C)CC)CC2(C)C.
What is the InChIKey of 1-butan-2-yl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole?
The InChIKey is WYEMPMZPYQOFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N/c1-7-18(4)24-15-23(5,6)21-12-17(3)20(14-22(21)24)13-19-10-8-16(2)9-11-19/h14,16,18-19H,3,7-13,15H2,1-2,4-6H3.
What are the key properties of 1-butan-2-yl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole?
1-butan-2-yl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole has a molecular weight of 327.56 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-5-methylidene-2,4-dihydroindole is sourced from PubChem (CID 170603104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).