2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine

C13H26N2O2 — CID 115559360

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine
SMILESCOC(OC)C(C)(CN)N1CC2CCCC2C1
InChIInChI=1S/C13H26N2O2/c1-13(9-14,12(16-2)17-3)15-7-10-5-4-6-11(10)8-15/h10-12H,4-9,14H2,1-3H3
InChIKeyUPWPQIDOSRRCGY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.05
Rot. Bonds5

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine (PubChem CID 115559360) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine
PubChem CID115559360
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine
SMILESCOC(OC)C(C)(CN)N1CC2CCCC2C1
InChIInChI=1S/C13H26N2O2/c1-13(9-14,12(16-2)17-3)15-7-10-5-4-6-11(10)8-15/h10-12H,4-9,14H2,1-3H3
InChIKeyUPWPQIDOSRRCGY-UHFFFAOYSA-N
XLogP1.05
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114537586
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methylpropan-1-amine
CID 115559453
2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180835
2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180437
2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66178856
2-(4-ethylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66181213
2-(2-ethylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180628
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201
2-(5-ethyl-2-methylmorpholin-4-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180240
3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine
CID 43810988
2-(azetidin-1-yl)-2,3-dimethylbutan-1-amine
CID 84716627
2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine
CID 54985244

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine (CID 115559360) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine is COC(OC)C(C)(CN)N1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The InChIKey is UPWPQIDOSRRCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(9-14,12(16-2)17-3)15-7-10-5-4-6-11(10)8-15/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine has a molecular weight of 242.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 115559360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).