[2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol

C15H30N2O3 — CID 103540797

IUPAC[2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCN1CC(OC)C(OC)C1
InChIInChI=1S/C15H30N2O3/c1-16-15(11-18)7-4-5-12(15)6-8-17-9-13(19-2)14(10-17)20-3/h12-14,16,18H,4-11H2,1-3H3
InChIKeyIZVKYLRAZHHZCR-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.47
Rot. Bonds7

About [2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol

[2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol (PubChem CID 103540797) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is [2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
PubChem CID103540797
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name[2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCN1CC(OC)C(OC)C1
InChIInChI=1S/C15H30N2O3/c1-16-15(11-18)7-4-5-12(15)6-8-17-9-13(19-2)14(10-17)20-3/h12-14,16,18H,4-11H2,1-3H3
InChIKeyIZVKYLRAZHHZCR-UHFFFAOYSA-N
XLogP0.47
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol (CID 103540797) is [2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol is CNC1(CO)CCCC1CCN1CC(OC)C(OC)C1.
What is the InChIKey of [2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol?
The InChIKey is IZVKYLRAZHHZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-16-15(11-18)7-4-5-12(15)6-8-17-9-13(19-2)14(10-17)20-3/h12-14,16,18H,4-11H2,1-3H3.
What are the key properties of [2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol?
[2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol has a molecular weight of 286.42 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol is sourced from PubChem (CID 103540797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).