3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine

C13H26N2O3 — CID 103532587

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1N1CC(OC)C(OC)C1
InChIInChI=1S/C13H26N2O3/c1-4-14-10-5-6-18-9-11(10)15-7-12(16-2)13(8-15)17-3/h10-14H,4-9H2,1-3H3
InChIKeyJRWKEJYLJMIKNV-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.10
Rot. Bonds5

About 3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine

3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine (PubChem CID 103532587) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine
PubChem CID103532587
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1N1CC(OC)C(OC)C1
InChIInChI=1S/C13H26N2O3/c1-4-14-10-5-6-18-9-11(10)15-7-12(16-2)13(8-15)17-3/h10-14H,4-9H2,1-3H3
InChIKeyJRWKEJYLJMIKNV-UHFFFAOYSA-N
XLogP0.10
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyloxan-4-amine
CID 63150384
3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine
CID 103532098
3-(2,2-difluoroethoxy)-N-ethyloxan-4-amine
CID 82004456
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-ethyloxolan-3-amine
CID 103534971
N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine
CID 81464857
N-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine
CID 113441647
6-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 103532526
2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethyl-N-propylcyclohexan-1-amine
CID 103532460
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxan-4-amine
CID 66391896
(3S,4R)-N-ethyl-4-methoxy-1-methylpyrrolidin-3-amine
CID 122696200
N-ethyl-3-methoxy-1-methylpiperidin-4-amine
CID 178010452
N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine
CID 106469345

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine (CID 103532587) is 3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine is CCNC1CCOCC1N1CC(OC)C(OC)C1.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine?
The InChIKey is JRWKEJYLJMIKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-14-10-5-6-18-9-11(10)15-7-12(16-2)13(8-15)17-3/h10-14H,4-9H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine?
3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine has a molecular weight of 258.36 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine is sourced from PubChem (CID 103532587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).