(3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone

C18H26N2O — CID 119765893

IUPAC(3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
SMILESCC(C)(C)c1ccc2c(c1)CCN2C(=O)C1CCC(N)C1
InChIInChI=1S/C18H26N2O/c1-18(2,3)14-5-7-16-12(10-14)8-9-20(16)17(21)13-4-6-15(19)11-13/h5,7,10,13,15H,4,6,8-9,11,19H2,1-3H3
InChIKeyBKGFSPBRNGSXAL-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.00
Rot. Bonds1

About (3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone

(3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 119765893) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
PubChem CID119765893
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
SMILESCC(C)(C)c1ccc2c(c1)CCN2C(=O)C1CCC(N)C1
InChIInChI=1S/C18H26N2O/c1-18(2,3)14-5-7-16-12(10-14)8-9-20(16)17(21)13-4-6-15(19)11-13/h5,7,10,13,15H,4,6,8-9,11,19H2,1-3H3
InChIKeyBKGFSPBRNGSXAL-UHFFFAOYSA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120629797
(5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120629796
[(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
(3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119673091
1-(3-aminocyclohexanecarbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 119696140
1-(3-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119802266
(3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119788761
(3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 119899709
[5-(4-aminopiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 71079564
(3-aminocyclohexyl)-(6-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119760507
acetylene;[(1S,3R)-3-aminocyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;propane
CID 143137063

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone (CID 119765893) is (3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone is CC(C)(C)c1ccc2c(c1)CCN2C(=O)C1CCC(N)C1.
What is the InChIKey of (3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is BKGFSPBRNGSXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(2,3)14-5-7-16-12(10-14)8-9-20(16)17(21)13-4-6-15(19)11-13/h5,7,10,13,15H,4,6,8-9,11,19H2,1-3H3.
What are the key properties of (3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone?
(3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 286.42 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 119765893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).