1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol

C14H30N2O3 — CID 106992140

IUPAC1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCCN1CCCC1CN(C)CC(O)COCCOC
InChIInChI=1S/C14H30N2O3/c1-4-16-7-5-6-13(16)10-15(2)11-14(17)12-19-9-8-18-3/h13-14,17H,4-12H2,1-3H3
InChIKeyIRTXVNPPPBHIAU-UHFFFAOYSA-N
MW274.40 g/mol
LogP0.43
Rot. Bonds10

About 1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol

1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106992140) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106992140
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCCN1CCCC1CN(C)CC(O)COCCOC
InChIInChI=1S/C14H30N2O3/c1-4-16-7-5-6-13(16)10-15(2)11-14(17)12-19-9-8-18-3/h13-14,17H,4-12H2,1-3H3
InChIKeyIRTXVNPPPBHIAU-UHFFFAOYSA-N
XLogP0.43
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-hydroxybutanoate
CID 82770373
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786
1-(1-methoxypropan-2-yloxy)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 106992139
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate
CID 79315799
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79319869
ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propylamino)propanoate
CID 79309297
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol
CID 79315558
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol
CID 79317833
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 79312374
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol
CID 63931720
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
CID 79318223
2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79315091

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol (CID 106992140) is 1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol is CCN1CCCC1CN(C)CC(O)COCCOC.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is IRTXVNPPPBHIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-4-16-7-5-6-13(16)10-15(2)11-14(17)12-19-9-8-18-3/h13-14,17H,4-12H2,1-3H3.
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol?
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 274.40 g/mol, XLogP of 0.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106992140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).