1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol

C12H26N2O2 — CID 115475430

IUPAC1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN1CC(C)C(C)C1
InChIInChI=1S/C12H26N2O2/c1-10-7-14(8-11(10)2)9-12(15)6-13-4-5-16-3/h10-13,15H,4-9H2,1-3H3
InChIKeyATHJAKMCMXNDFK-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.17
Rot. Bonds7

About 1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol

1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 115475430) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
PubChem CID115475430
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN1CC(C)C(C)C1
InChIInChI=1S/C12H26N2O2/c1-10-7-14(8-11(10)2)9-12(15)6-13-4-5-16-3/h10-13,15H,4-9H2,1-3H3
InChIKeyATHJAKMCMXNDFK-UHFFFAOYSA-N
XLogP0.17
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 78971493
1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 113317417
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475228
1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol
CID 115475222
1-(2-methoxyethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol
CID 115475490
1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 113317455
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-(propylamino)propan-2-ol
CID 81464324
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
1-fluoro-3-(2-methoxyethylamino)propan-2-ol
CID 131182194
1-(2-cyclopentylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475177
4-[2-hydroxy-3-(2-methoxyethylamino)propyl]morpholine-3,5-dione
CID 115475673
1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 113441633

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol (CID 115475430) is 1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol is COCCNCC(O)CN1CC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is ATHJAKMCMXNDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10-7-14(8-11(10)2)9-12(15)6-13-4-5-16-3/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol?
1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 115475430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).