2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine

C11H24N2O2 — CID 66220841

IUPAC2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCOC(CN(C)CC1CCN(C)C1)OC
InChIInChI=1S/C11H24N2O2/c1-12-6-5-10(7-12)8-13(2)9-11(14-3)15-4/h10-11H,5-9H2,1-4H3
InChIKeyDNSDDRJATLSHQG-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.49
Rot. Bonds6

About 2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine

2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 66220841) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID66220841
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCOC(CN(C)CC1CCN(C)C1)OC
InChIInChI=1S/C11H24N2O2/c1-12-6-5-10(7-12)8-13(2)9-11(14-3)15-4/h10-11H,5-9H2,1-4H3
InChIKeyDNSDDRJATLSHQG-UHFFFAOYSA-N
XLogP0.49
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.49
H-Bond Donors ≤ 50
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

N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine
CID 66222142
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury
CID 144727808
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
2-ethoxy-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63276105
1,1,1-trifluoro-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol
CID 63900629
2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 64759351
1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 63275561
4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine
CID 63234503
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
1-butoxy-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol
CID 107263880
2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 115255113

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine (CID 66220841) is 2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine is COC(CN(C)CC1CCN(C)C1)OC.
What is the InChIKey of 2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is DNSDDRJATLSHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-12-6-5-10(7-12)8-13(2)9-11(14-3)15-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 216.32 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 66220841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).