(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone

C16H22N2O — CID 43550187

IUPAC(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
SMILESCC1Cc2cc(N)ccc2N1C(=O)C1CCCCC1
InChIInChI=1S/C16H22N2O/c1-11-9-13-10-14(17)7-8-15(13)18(11)16(19)12-5-3-2-4-6-12/h7-8,10-12H,2-6,9,17H2,1H3
InChIKeyFQHNAJXZCCMQNY-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.13
Rot. Bonds1

About (5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone

(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone (PubChem CID 43550187) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone.

Molecular Properties

Compound Name(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
PubChem CID43550187
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
SMILESCC1Cc2cc(N)ccc2N1C(=O)C1CCCCC1
InChIInChI=1S/C16H22N2O/c1-11-9-13-10-14(17)7-8-15(13)18(11)16(19)12-5-3-2-4-6-12/h7-8,10-12H,2-6,9,17H2,1H3
InChIKeyFQHNAJXZCCMQNY-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl-(2,5-dimethyl-2,3-dihydroindol-1-yl)methanone
CID 20793215
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methylcyclopentyl)methanone
CID 107174842
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152708
5-amino-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43551503
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-methyloxolan-3-yl)methanone
CID 79751060
[5-(2-amino-4-methylpentyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone
CID 82259947
2-chloro-1-[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]propan-1-one
CID 82259056
[5-(2-bromobutyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclohexylmethanone
CID 82259316
[5-(2-bromoethyl)-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 82259192
[(2R)-5-(4-cyclohexylpiperazin-1-yl)sulfonyl-2-methyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 93178240
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone
CID 107999893
(3R)-N-cyclohexyl-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]piperidine-3-carboxamide
CID 92688064

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone?
The IUPAC name of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone (CID 43550187) is (5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone.
What is the SMILES notation for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone?
The canonical SMILES for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone is CC1Cc2cc(N)ccc2N1C(=O)C1CCCCC1.
What is the InChIKey of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone?
The InChIKey is FQHNAJXZCCMQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-9-13-10-14(17)7-8-15(13)18(11)16(19)12-5-3-2-4-6-12/h7-8,10-12H,2-6,9,17H2,1H3.
What are the key properties of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone?
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone has a molecular weight of 258.36 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone is sourced from PubChem (CID 43550187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).