2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine

C15H30N2O2 — CID 66180835

IUPAC2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
SMILESCOC(OC)C(C)(CN)N1CCCC1C1CCCC1
InChIInChI=1S/C15H30N2O2/c1-15(11-16,14(18-2)19-3)17-10-6-9-13(17)12-7-4-5-8-12/h12-14H,4-11,16H2,1-3H3
InChIKeyDBYUEXNUDJKUKM-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.98
Rot. Bonds6

About 2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine

2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine (PubChem CID 66180835) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
PubChem CID66180835
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
SMILESCOC(OC)C(C)(CN)N1CCCC1C1CCCC1
InChIInChI=1S/C15H30N2O2/c1-15(11-16,14(18-2)19-3)17-10-6-9-13(17)12-7-4-5-8-12/h12-14H,4-11,16H2,1-3H3
InChIKeyDBYUEXNUDJKUKM-UHFFFAOYSA-N
XLogP1.98
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.98
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

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
CID 66179040
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 115559360
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methylbutan-1-amine
CID 102725677
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylpropan-1-amine
CID 82747633
1-tert-butyl-2-cyclohexylpyrrolidine
CID 155770261
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(methoxymethyl)-3-methylbutan-1-amine
CID 82746702
3-(2-cyclopentylpyrrolidin-1-yl)-2-methoxypropan-1-amine
CID 106114735
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methoxypropan-1-amine
CID 106115066
2-(4-tert-butylpiperazin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66180437
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-ethoxy-2-methylpropan-1-amine
CID 113493229
3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114537586
2-(4-ethoxypiperidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine
CID 66178856

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The IUPAC name of 2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine (CID 66180835) is 2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The canonical SMILES for 2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine is COC(OC)C(C)(CN)N1CCCC1C1CCCC1.
What is the InChIKey of 2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
The InChIKey is DBYUEXNUDJKUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-15(11-16,14(18-2)19-3)17-10-6-9-13(17)12-7-4-5-8-12/h12-14H,4-11,16H2,1-3H3.
What are the key properties of 2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine?
2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylpyrrolidin-1-yl)-3,3-dimethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 66180835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).