1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole

C15H29N — CID 126658069

IUPAC1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
SMILESCC(C)CC1CC2CCCC2N1C(C)(C)C
InChIInChI=1S/C15H29N/c1-11(2)9-13-10-12-7-6-8-14(12)16(13)15(3,4)5/h11-14H,6-10H2,1-5H3
InChIKeyBUMQTCWBROIIOP-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.07
Rot. Bonds2

About 1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole

1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole (PubChem CID 126658069) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole.

Molecular Properties

Compound Name1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
PubChem CID126658069
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
SMILESCC(C)CC1CC2CCCC2N1C(C)(C)C
InChIInChI=1S/C15H29N/c1-11(2)9-13-10-12-7-6-8-14(12)16(13)15(3,4)5/h11-14H,6-10H2,1-5H3
InChIKeyBUMQTCWBROIIOP-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole with MolForge

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Related Compounds

(2S,3aS,6aS)-1,2-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2S,3aS,7aS)-1,2-ditert-butyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 159306478
(2S,3aS,7aS)-1,2-ditert-butyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59701515
1-[(2S,3aS,6aS)-1-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]-2,2-dimethylpropan-1-one
CID 58849893
1-tert-butyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 59450731
(2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine
CID 159513333
1-methyl-2-(2-methylpropyl)azepane
CID 130636029
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573
tert-butyl 2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate
CID 76656761
2-(2-methylpropyl)-1-phenylpyrrolidine
CID 11241145
[1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrolidin-2-yl]-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 176781648
(2S,3aS,7aS)-2-(methoxymethyl)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59055350

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The IUPAC name of 1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole (CID 126658069) is 1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole.
What is the SMILES notation for 1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The canonical SMILES for 1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole is CC(C)CC1CC2CCCC2N1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The InChIKey is BUMQTCWBROIIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11(2)9-13-10-12-7-6-8-14(12)16(13)15(3,4)5/h11-14H,6-10H2,1-5H3.
What are the key properties of 1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole has a molecular weight of 223.40 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole is sourced from PubChem (CID 126658069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).