3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane

C16H36N2O — CID 142385991

IUPAC3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane
SMILESCC.CC.CN1CC2(C)CN(CCCO)CC2(C)C1
InChIInChI=1S/C12H24N2O.2C2H6/c1-11-7-13(3)8-12(11,2)10-14(9-11)5-4-6-15;2*1-2/h15H,4-10H2,1-3H3;2*1-2H3
InChIKeyHPEJKTUHGOAXTF-UHFFFAOYSA-N
MW272.48 g/mol
LogP2.69
Rot. Bonds3

About 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane

3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane (PubChem CID 142385991) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane.

Molecular Properties

Compound Name3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane
PubChem CID142385991
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane
SMILESCC.CC.CN1CC2(C)CN(CCCO)CC2(C)C1
InChIInChI=1S/C12H24N2O.2C2H6/c1-11-7-13(3)8-12(11,2)10-14(9-11)5-4-6-15;2*1-2/h15H,4-10H2,1-3H3;2*1-2H3
InChIKeyHPEJKTUHGOAXTF-UHFFFAOYSA-N
XLogP2.69
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,6aR)-2,3a,5,6a-tetramethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-3,6-diol
CID 164680698
1,3-Bis(1-ethyl-3,4-dimethylpyrrolidin-1-ium-1-yl)propan-1-ol
CID 118511781
3-[(3aS,6aR)-5-tert-butyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
CID 118531468
3-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-ol
CID 118534988
3-[(3aS,6aR)-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
CID 126724942
1-(2-Methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethanol
CID 126735777
(3aS,6aR)-5-(3-methoxypropyl)-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 134351464
(3aS,6aR)-5-tert-butyl-2-[3-(2,2-dimethylpropoxy)propyl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 139475383
3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-ol;ethane
CID 142409451
Ethane;3-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol
CID 144962724
3-[(3aR,6aS)-5-iodo-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-ol
CID 155472504
3-[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]propan-1-ol;ethane;methane;propane
CID 156720200

Frequently Asked Questions

What is the IUPAC name of 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane?
The IUPAC name of 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane (CID 142385991) is 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane.
What is the SMILES notation for 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane?
The canonical SMILES for 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane is CC.CC.CN1CC2(C)CN(CCCO)CC2(C)C1.
What is the InChIKey of 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane?
The InChIKey is HPEJKTUHGOAXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.2C2H6/c1-11-7-13(3)8-12(11,2)10-14(9-11)5-4-6-15;2*1-2/h15H,4-10H2,1-3H3;2*1-2H3.
What are the key properties of 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane?
3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane has a molecular weight of 272.48 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol;ethane is sourced from PubChem (CID 142385991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).