[5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone

C22H34N2O — CID 82259947

IUPAC[5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone
SMILESCC(C)CC(N)Cc1ccc2c(c1)CC(C)N2C(=O)C1CCCCC1
InChIInChI=1S/C22H34N2O/c1-15(2)11-20(23)14-17-9-10-21-19(13-17)12-16(3)24(21)22(25)18-7-5-4-6-8-18/h9-10,13,15-16,18,20H,4-8,11-12,14,23H2,1-3H3
InChIKeyCBFUZLRSOHMPCM-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.46
Rot. Bonds5

About [5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone

[5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone (PubChem CID 82259947) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is [5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone
PubChem CID82259947
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name[5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone
SMILESCC(C)CC(N)Cc1ccc2c(c1)CC(C)N2C(=O)C1CCCCC1
InChIInChI=1S/C22H34N2O/c1-15(2)11-20(23)14-17-9-10-21-19(13-17)12-16(3)24(21)22(25)18-7-5-4-6-8-18/h9-10,13,15-16,18,20H,4-8,11-12,14,23H2,1-3H3
InChIKeyCBFUZLRSOHMPCM-UHFFFAOYSA-N
XLogP4.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2-bromobutyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone
CID 82259316
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
CID 43550187
cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone
CID 20793215
[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 82259192
1-[5-(2-amino-3-methylbutyl)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 82259999
1-[5-(2-aminopropyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methoxyethanone
CID 82259710
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]-3-cyclohexylpropan-1-one
CID 82259940
2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one
CID 82259056
1-[5-(2-amino-4-methylpentyl)-2,3-dihydroindol-1-yl]ethanone
CID 82255283
1-[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82259189
1-[5-(2-chloroethyl)-2-methyl-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 82260520
[6-(2-aminopentyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259904

Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone?
The IUPAC name of [5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone (CID 82259947) is [5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone?
The canonical SMILES for [5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone is CC(C)CC(N)Cc1ccc2c(c1)CC(C)N2C(=O)C1CCCCC1.
What is the InChIKey of [5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone?
The InChIKey is CBFUZLRSOHMPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-15(2)11-20(23)14-17-9-10-21-19(13-17)12-16(3)24(21)22(25)18-7-5-4-6-8-18/h9-10,13,15-16,18,20H,4-8,11-12,14,23H2,1-3H3.
What are the key properties of [5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone?
[5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone has a molecular weight of 342.53 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 82259947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).