2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine

C11H24N2O2 — CID 103539835

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine
SMILESCCNCC(C)N1CC(OC)C(OC)C1
InChIInChI=1S/C11H24N2O2/c1-5-12-6-9(2)13-7-10(14-3)11(8-13)15-4/h9-12H,5-8H2,1-4H3
InChIKeyLSFDAMJIMBOXJA-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.33
Rot. Bonds6

About 2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine

2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine (PubChem CID 103539835) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine
PubChem CID103539835
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine
SMILESCCNCC(C)N1CC(OC)C(OC)C1
InChIInChI=1S/C11H24N2O2/c1-5-12-6-9(2)13-7-10(14-3)11(8-13)15-4/h9-12H,5-8H2,1-4H3
InChIKeyLSFDAMJIMBOXJA-UHFFFAOYSA-N
XLogP0.33
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethylpropan-1-amine
CID 104960968
N-tert-butyl-4-(3,4-dimethoxypyrrolidin-1-yl)pentan-1-amine
CID 103539948
2-(3,4-dimethoxypyrrolidin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 103540000
1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone
CID 103533144
3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine
CID 103532491
2-(3-methoxyazetidin-1-yl)-N-methylpropan-1-amine
CID 130548455
N-ethyl-2-(4-methoxypiperidin-1-yl)pentan-1-amine
CID 83054819
N-[2-(3,5-dimethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62423227
N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62772925
2-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpentan-3-amine
CID 103532489
2-(3,4-dimethoxypyrrolidin-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103539922
N-[2-(3,4-dimethylpyrrolidin-1-yl)propyl]butan-1-amine
CID 79184334

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine (CID 103539835) is 2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine is CCNCC(C)N1CC(OC)C(OC)C1.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine?
The InChIKey is LSFDAMJIMBOXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-12-6-9(2)13-7-10(14-3)11(8-13)15-4/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine?
2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine has a molecular weight of 216.32 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 103539835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).