1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine

C29H51N3 — CID 165107586

IUPAC1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine
SMILESCC(C)(C)N1CCc2ccccc21.CC(C)N1CC2CCCC2C1.CC(C)N1CCCC1
InChIInChI=1S/C12H17N.C10H19N.C7H15N/c1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-8(2)11-6-9-4-3-5-10(9)7-11;1-7(2)8-5-3-4-6-8/h4-7H,8-9H2,1-3H3;8-10H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyZKCMTBMFELGNOU-UHFFFAOYSA-N
MW441.75 g/mol
LogP6.46
Rot. Bonds2

About 1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine

1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine (PubChem CID 165107586) has the molecular formula C29H51N3 and a molecular weight of 441.75 g/mol. Its IUPAC name is 1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine
PubChem CID165107586
Molecular FormulaC29H51N3
Molecular Weight441.75 g/mol
Exact Mass441.41
IUPAC Name1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine
SMILESCC(C)(C)N1CCc2ccccc21.CC(C)N1CC2CCCC2C1.CC(C)N1CCCC1
InChIInChI=1S/C12H17N.C10H19N.C7H15N/c1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-8(2)11-6-9-4-3-5-10(9)7-11;1-7(2)8-5-3-4-6-8/h4-7H,8-9H2,1-3H3;8-10H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyZKCMTBMFELGNOU-UHFFFAOYSA-N
XLogP6.46
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.75
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

1-(1-propan-2-ylpiperidin-4-yl)-3,4-dihydro-2H-quinoline
CID 23570249
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
2-(2,3-dihydroindol-1-yl)-2-methylpropanal
CID 130948019
1-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 171743044
4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propan-2-ylpiperidin-3-ol
CID 176799701
(5aS,9aR)-1-methyl-7-propan-2-yl-3,4,5,5a,6,8,9,9a-octahydropyrido[4,3-b]azepin-2-one
CID 155982545
ethane;methane;5-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazepine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylpiperidine;1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine
CID 158710178
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
N-[(1S)-1-phenylethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 81350353
1,2-dimethyl-3,4-dihydrocinnoline
CID 54095235
[4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078746
2-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dimethylhexan-1-amine
CID 43080726

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine?
The IUPAC name of 1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine (CID 165107586) is 1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine?
The canonical SMILES for 1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine is CC(C)(C)N1CCc2ccccc21.CC(C)N1CC2CCCC2C1.CC(C)N1CCCC1.
What is the InChIKey of 1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine?
The InChIKey is ZKCMTBMFELGNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C10H19N.C7H15N/c1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;1-8(2)11-6-9-4-3-5-10(9)7-11;1-7(2)8-5-3-4-6-8/h4-7H,8-9H2,1-3H3;8-10H,3-7H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine?
1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine has a molecular weight of 441.75 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3-dihydroindole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 165107586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).