3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N,N-dimethylpropan-1-amine

C11H23N3 — CID 58591136

IUPAC3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CC2CNCC2C1
InChIInChI=1S/C11H23N3/c1-13(2)4-3-5-14-8-10-6-12-7-11(10)9-14/h10-12H,3-9H2,1-2H3
InChIKeyZTHQHZRTOSTGQJ-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.09
Rot. Bonds4

About 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N,N-dimethylpropan-1-amine

3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N,N-dimethylpropan-1-amine (PubChem CID 58591136) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N,N-dimethylpropan-1-amine
PubChem CID58591136
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CC2CNCC2C1
InChIInChI=1S/C11H23N3/c1-13(2)4-3-5-14-8-10-6-12-7-11(10)9-14/h10-12H,3-9H2,1-2H3
InChIKeyZTHQHZRTOSTGQJ-UHFFFAOYSA-N
XLogP0.09
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N,N-dimethylpropan-1-amine (CID 58591136) is 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCN1CC2CNCC2C1.
What is the InChIKey of 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is ZTHQHZRTOSTGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-13(2)4-3-5-14-8-10-6-12-7-11(10)9-14/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N,N-dimethylpropan-1-amine?
3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 197.33 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 58591136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).