(3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole

C10H20N2 — CID 170263057

IUPAC(3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
SMILESCC(C)N1CC[C@H]2[C@@H]1CCN2C
InChIInChI=1S/C10H20N2/c1-8(2)12-7-5-9-10(12)4-6-11(9)3/h8-10H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyRJLPHXBZIZTVKG-UWVGGRQHSA-N
MW168.28 g/mol
LogP1.17
Rot. Bonds1

About (3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole

(3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole (PubChem CID 170263057) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole.

Molecular Properties

Compound Name(3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
PubChem CID170263057
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
SMILESCC(C)N1CC[C@H]2[C@@H]1CCN2C
InChIInChI=1S/C10H20N2/c1-8(2)12-7-5-9-10(12)4-6-11(9)3/h8-10H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKeyRJLPHXBZIZTVKG-UWVGGRQHSA-N
XLogP1.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-propan-2-yl-2,6-diazabicyclo[3.2.0]heptane
CID 167300749
ethane;1-methylpyrrolidine;2-propan-2-yl-2-azabicyclo[3.1.0]hexane
CID 176657759
(2R,4S)-2-cyclopropyl-1,4-di(propan-2-yl)piperidine
CID 174295504
(3aR,7aS)-1-methyl-5-propan-2-yl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 58315229
1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 58339116
2-methyl-6-propan-2-yl-2,6-diazabicyclo[3.2.2]nonane
CID 176748091
2-iodo-1-methylazetidine
CID 90368179
(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770
2-ethyl-1-propan-2-ylazetidine;propane
CID 163256433
6-(4-hydroxy-1-methylpiperidin-2-yl)-3-methyl-1-propan-2-ylpiperidin-3-ol
CID 168942826
1-methyl-5-(1-propan-2-ylpyrrolidin-2-yl)pyrrolidin-2-one
CID 170740192
1-methyl-2-propan-2-ylazetidine
CID 23588958

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole?
The IUPAC name of (3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole (CID 170263057) is (3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole.
What is the SMILES notation for (3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole?
The canonical SMILES for (3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole is CC(C)N1CC[C@H]2[C@@H]1CCN2C.
What is the InChIKey of (3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole?
The InChIKey is RJLPHXBZIZTVKG-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)12-7-5-9-10(12)4-6-11(9)3/h8-10H,4-7H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole?
(3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole has a molecular weight of 168.28 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-1-methyl-4-propan-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole is sourced from PubChem (CID 170263057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).