4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine

C13H26N2O3 — CID 103534971

IUPAC4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine
SMILESCCNC1COCC1CN1CC(OC)C(OC)C1
InChIInChI=1S/C13H26N2O3/c1-4-14-11-9-18-8-10(11)5-15-6-12(16-2)13(7-15)17-3/h10-14H,4-9H2,1-3H3
InChIKeyCHEIGTFOLROVKG-UHFFFAOYSA-N
MW258.36 g/mol
LogP-0.04
Rot. Bonds6

About 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine

4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine (PubChem CID 103534971) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine.

Molecular Properties

Compound Name4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine
PubChem CID103534971
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine
SMILESCCNC1COCC1CN1CC(OC)C(OC)C1
InChIInChI=1S/C13H26N2O3/c1-4-14-11-9-18-8-10(11)5-15-6-12(16-2)13(7-15)17-3/h10-14H,4-9H2,1-3H3
InChIKeyCHEIGTFOLROVKG-UHFFFAOYSA-N
XLogP-0.04
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine?
The IUPAC name of 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine (CID 103534971) is 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine.
What is the SMILES notation for 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine?
The canonical SMILES for 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine is CCNC1COCC1CN1CC(OC)C(OC)C1.
What is the InChIKey of 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine?
The InChIKey is CHEIGTFOLROVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-14-11-9-18-8-10(11)5-15-6-12(16-2)13(7-15)17-3/h10-14H,4-9H2,1-3H3.
What are the key properties of 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine?
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine has a molecular weight of 258.36 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine is sourced from PubChem (CID 103534971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).