2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine

C12H26N2O2 — CID 106025171

IUPAC2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCCOC(CNCC1CCCN1C)OCC
InChIInChI=1S/C12H26N2O2/c1-4-15-12(16-5-2)10-13-9-11-7-6-8-14(11)3/h11-13H,4-10H2,1-3H3
InChIKeyZNUVSBOLEGXNTB-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.07
Rot. Bonds8

About 2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine

2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine (PubChem CID 106025171) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
PubChem CID106025171
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCCOC(CNCC1CCCN1C)OCC
InChIInChI=1S/C12H26N2O2/c1-4-15-12(16-5-2)10-13-9-11-7-6-8-14(11)3/h11-13H,4-10H2,1-3H3
InChIKeyZNUVSBOLEGXNTB-UHFFFAOYSA-N
XLogP1.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106024028
1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol
CID 106025279
2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 64570270
3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine
CID 62655060
2-amino-3-[(1-methylpyrrolidin-2-yl)methylamino]propanoic acid
CID 106020229
3-[(1-methylpiperidin-2-yl)methylamino]propane-1,2-diol
CID 66176775
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 131228052
N-[(1-methylpyrrolidin-2-yl)methyl]nonan-1-amine
CID 106025363
N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropan-1-amine
CID 103626279
3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol
CID 106025507
1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrrolidin-2-yl)methylamino]propan-2-ol
CID 106025685
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 114138299

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine (CID 106025171) is 2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine is CCOC(CNCC1CCCN1C)OCC.
What is the InChIKey of 2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The InChIKey is ZNUVSBOLEGXNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-15-12(16-5-2)10-13-9-11-7-6-8-14(11)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine has a molecular weight of 230.35 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 106025171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).