(3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

C13H26N2 — CID 170578237

IUPAC(3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCCN1C[C@@]2(C)CN(C(C)C)C[C@@]2(C)C1
InChIInChI=1S/C13H26N2/c1-6-14-7-12(4)9-15(11(2)3)10-13(12,5)8-14/h11H,6-10H2,1-5H3/t12-,13+
InChIKeyZEFVXKBDEJXMGO-BETUJISGSA-N
MW210.36 g/mol
LogP2.06
Rot. Bonds2

About (3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole

(3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (PubChem CID 170578237) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
PubChem CID170578237
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
SMILESCCN1C[C@@]2(C)CN(C(C)C)C[C@@]2(C)C1
InChIInChI=1S/C13H26N2/c1-6-14-7-12(4)9-15(11(2)3)10-13(12,5)8-14/h11H,6-10H2,1-5H3/t12-,13+
InChIKeyZEFVXKBDEJXMGO-BETUJISGSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3a,6a-dimethyl-2-(3-methylbutyl)-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 144899570
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CID 156798626
ethane;1-ethyl-3-fluoro-3-methylazetidine
CID 178155660
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
3-methyl-1-propan-2-ylazetidin-3-ol
CID 58334516
3,3,4-trifluoro-4-methyl-1-propan-2-ylpyrrolidine
CID 159310583
ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 164540860
(3aS,6aS)-1,3a,6a-trimethyl-5-propan-2-yl-2,3,4,6-tetrahydropyrrolo[2,3-c]pyrrole
CID 157157728
1-ethyl-3-(1-propan-2-ylazetidin-3-yl)azetidine
CID 177246140
2-ethyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 58914458
(1R,5R)-1,5-dimethyl-3-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane
CID 98114726
ethane;2,2,6,6-tetramethyl-4-propan-2-ylmorpholine
CID 178173229

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole (CID 170578237) is (3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is CCN1C[C@@]2(C)CN(C(C)C)C[C@@]2(C)C1.
What is the InChIKey of (3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
The InChIKey is ZEFVXKBDEJXMGO-BETUJISGSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-14-7-12(4)9-15(11(2)3)10-13(12,5)8-14/h11H,6-10H2,1-5H3/t12-,13+.
What are the key properties of (3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole?
(3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole has a molecular weight of 210.36 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 170578237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).