(4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone

C17H25N3O — CID 22591393

IUPAC(4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone
SMILESCN(C)c1ccc2c(c1)N(C(=O)C1CCC(N)CC1)CC2
InChIInChI=1S/C17H25N3O/c1-19(2)15-8-5-12-9-10-20(16(12)11-15)17(21)13-3-6-14(18)7-4-13/h5,8,11,13-14H,3-4,6-7,9-10,18H2,1-2H3
InChIKeyNZSTXQYVVROUFT-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.16
Rot. Bonds2

About (4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone

(4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone (PubChem CID 22591393) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone
PubChem CID22591393
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone
SMILESCN(C)c1ccc2c(c1)N(C(=O)C1CCC(N)CC1)CC2
InChIInChI=1S/C17H25N3O/c1-19(2)15-8-5-12-9-10-20(16(12)11-15)17(21)13-3-6-14(18)7-4-13/h5,8,11,13-14H,3-4,6-7,9-10,18H2,1-2H3
InChIKeyNZSTXQYVVROUFT-UHFFFAOYSA-N
XLogP2.16
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone
CID 124699729
1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 124689464
1-(3-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119802266
1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride
CID 54594046
ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate
CID 112506230
(3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 119765893
(3-aminocyclohexyl)-(6-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760507
[5-(4-aminopiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 71079564
1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
CID 75422244
4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673855
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone
CID 55055284
6-(dimethylamino)-2,3-dihydroindole-1-carbaldehyde
CID 89385300

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone (CID 22591393) is (4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone is CN(C)c1ccc2c(c1)N(C(=O)C1CCC(N)CC1)CC2.
What is the InChIKey of (4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone?
The InChIKey is NZSTXQYVVROUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19(2)15-8-5-12-9-10-20(16(12)11-15)17(21)13-3-6-14(18)7-4-13/h5,8,11,13-14H,3-4,6-7,9-10,18H2,1-2H3.
What are the key properties of (4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone?
(4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone has a molecular weight of 287.41 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-[6-(dimethylamino)-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 22591393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).