N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine

C12H26N2O — CID 121001602

IUPACN,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
SMILESCCN(CC)CCOC[C@@H]1CCCN1C
InChIInChI=1S/C12H26N2O/c1-4-14(5-2)9-10-15-11-12-7-6-8-13(12)3/h12H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyIAWVXCGAEPASTN-LBPRGKRZSA-N
MW214.35 g/mol
LogP1.44
Rot. Bonds7

About N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine

N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine (PubChem CID 121001602) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
PubChem CID121001602
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
SMILESCCN(CC)CCOC[C@@H]1CCCN1C
InChIInChI=1S/C12H26N2O/c1-4-14(5-2)9-10-15-11-12-7-6-8-13(12)3/h12H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyIAWVXCGAEPASTN-LBPRGKRZSA-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

ethane;2-(ethoxymethyl)-1-methylpyrrolidine
CID 169145954
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 54091404
3-[(1-methylpyrrolidin-2-yl)methoxy]propanoic acid
CID 83817688
4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine
CID 65469045
N'-ethyl-N'-[[(2S)-1-methylpyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 66565691
methane;2-methoxy-N,N-dimethylethanamine;2-(methoxymethyl)-1-methylpyrrolidine
CID 159485397
[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite
CID 149141238
3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid
CID 170367402
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
2-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]propan-2-amine
CID 65467309
3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 65469427
2-fluoro-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]propanoic acid
CID 174164491

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine (CID 121001602) is N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine is CCN(CC)CCOC[C@@H]1CCCN1C.
What is the InChIKey of N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine?
The InChIKey is IAWVXCGAEPASTN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-14(5-2)9-10-15-11-12-7-6-8-13(12)3/h12H,4-11H2,1-3H3/t12-/m0/s1.
What are the key properties of N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine?
N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine 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 N,N-diethyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanamine is sourced from PubChem (CID 121001602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).