3-[(1-ethylpyrrolidin-2-yl)methoxy]-N,N-dimethylpropan-1-amine

C12H26N2O — CID 70887236

IUPAC3-[(1-ethylpyrrolidin-2-yl)methoxy]-N,N-dimethylpropan-1-amine
SMILESCCN1CCCC1COCCCN(C)C
InChIInChI=1S/C12H26N2O/c1-4-14-9-5-7-12(14)11-15-10-6-8-13(2)3/h12H,4-11H2,1-3H3
InChIKeyBUNPLFOFBIENJW-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.44
Rot. Bonds7

About 3-[(1-ethylpyrrolidin-2-yl)methoxy]-N,N-dimethylpropan-1-amine

3-[(1-ethylpyrrolidin-2-yl)methoxy]-N,N-dimethylpropan-1-amine (PubChem CID 70887236) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methoxy]-N,N-dimethylpropan-1-amine
PubChem CID70887236
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methoxy]-N,N-dimethylpropan-1-amine
SMILESCCN1CCCC1COCCCN(C)C
InChIInChI=1S/C12H26N2O/c1-4-14-9-5-7-12(14)11-15-10-6-8-13(2)3/h12H,4-11H2,1-3H3
InChIKeyBUNPLFOFBIENJW-UHFFFAOYSA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 79312374
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpentan-1-amine
CID 79318514
9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine
CID 105343821
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanenitrile
CID 115277934
3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 114526692
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
CID 124511772
N-[2-(1-ethylpyrrolidin-2-yl)ethoxy]methanamine
CID 117126787
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methoxy]-N,N-dimethylpropan-1-amine (CID 70887236) is 3-[(1-ethylpyrrolidin-2-yl)methoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methoxy]-N,N-dimethylpropan-1-amine is CCN1CCCC1COCCCN(C)C.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is BUNPLFOFBIENJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-14-9-5-7-12(14)11-15-10-6-8-13(2)3/h12H,4-11H2,1-3H3.
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methoxy]-N,N-dimethylpropan-1-amine?
3-[(1-ethylpyrrolidin-2-yl)methoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-2-yl)methoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 70887236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).