1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine

C12H27N3O — CID 63167781

IUPAC1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOCCNCC(C)N1CCC(N(C)C)C1
InChIInChI=1S/C12H27N3O/c1-11(9-13-6-8-16-4)15-7-5-12(10-15)14(2)3/h11-13H,5-10H2,1-4H3
InChIKeyBXUFSQMAIRKTJO-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.25
Rot. Bonds7

About 1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine

1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63167781) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63167781
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOCCNCC(C)N1CCC(N(C)C)C1
InChIInChI=1S/C12H27N3O/c1-11(9-13-6-8-16-4)15-7-5-12(10-15)14(2)3/h11-13H,5-10H2,1-4H3
InChIKeyBXUFSQMAIRKTJO-UHFFFAOYSA-N
XLogP0.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-methoxy-3-(propylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 103226498
N-(2-methoxyethyl)-2-(2-methylmorpholin-4-yl)propan-1-amine
CID 62557805
N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009404
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine
CID 55128341
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 79281115
N,N-dimethyl-1-[4-(2-methylpropylamino)butan-2-yl]piperidin-4-amine
CID 62432465
2-(2-ethyl-1,4-oxazepan-4-yl)-N-(2-methoxyethyl)propan-1-amine
CID 114218798
N,N-dimethyl-1-[5-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine
CID 55158377
2-(4-tert-butylpiperazin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569252
N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine
CID 63167885
N-(3-methoxypropyl)-2-(4-methylsulfanylpiperidin-1-yl)propan-1-amine
CID 114238400
N,N-dimethyl-1-[1-(propan-2-ylamino)propan-2-yl]piperidin-4-amine
CID 62433161

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine (CID 63167781) is 1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine is COCCNCC(C)N1CCC(N(C)C)C1.
What is the InChIKey of 1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is BXUFSQMAIRKTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-11(9-13-6-8-16-4)15-7-5-12(10-15)14(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 229.37 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethylamino)propan-2-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63167781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).