4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C14H27N3 — CID 66244210

IUPAC4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1CCN1CCCC1
InChIInChI=1S/C14H27N3/c1-14(2)13-10-15-9-12(13)11-17(14)8-7-16-5-3-4-6-16/h12-13,15H,3-11H2,1-2H3
InChIKeyNYNGQHBCKUOACR-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.01
Rot. Bonds3

About 4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66244210) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66244210
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1CCN1CCCC1
InChIInChI=1S/C14H27N3/c1-14(2)13-10-15-9-12(13)11-17(14)8-7-16-5-3-4-6-16/h12-13,15H,3-11H2,1-2H3
InChIKeyNYNGQHBCKUOACR-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66207819
5-decyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243161
5-(2-imidazol-1-ylethyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244620
(2S)-1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propan-2-ol
CID 106933586
5-(2-ethylbutyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66208395
3-[2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 66242349
3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 107078385
4,4-dimethyl-5-(oxolan-2-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243797
4,4-dimethyl-5-[(3-methylcyclohexyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66209938
5-(3-imidazol-1-ylpropyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244413
4,4-dimethyl-5-[(1-methylpyrazol-3-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 82870404
4,4-dimethyl-5-(pyridin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243738

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66244210) is 4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC1(C)C2CNCC2CN1CCN1CCCC1.
What is the InChIKey of 4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is NYNGQHBCKUOACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-14(2)13-10-15-9-12(13)11-17(14)8-7-16-5-3-4-6-16/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 237.39 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66244210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).