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

C10H22N2O2 — CID 106024028

IUPAC2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCOC(CNCC1CCCN1C)OC
InChIInChI=1S/C10H22N2O2/c1-12-6-4-5-9(12)7-11-8-10(13-2)14-3/h9-11H,4-8H2,1-3H3
InChIKeyUKCDXLGVWQMPPN-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.29
Rot. Bonds6

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

2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine (PubChem CID 106024028) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
PubChem CID106024028
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCOC(CNCC1CCCN1C)OC
InChIInChI=1S/C10H22N2O2/c1-12-6-4-5-9(12)7-11-8-10(13-2)14-3/h9-11H,4-8H2,1-3H3
InChIKeyUKCDXLGVWQMPPN-UHFFFAOYSA-N
XLogP0.29
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.29
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-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106025171
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-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 106025656
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
3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methylpiperidin-2-yl)methyl]pentane-1,2-diamine
CID 62655060
N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropan-1-amine
CID 103626279
1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol
CID 106025460
1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrrolidin-2-yl)methylamino]propan-2-ol
CID 106025685
2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide
CID 103244493

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The IUPAC name of 2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine (CID 106024028) is 2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine is COC(CNCC1CCCN1C)OC.
What is the InChIKey of 2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The InChIKey is UKCDXLGVWQMPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-12-6-4-5-9(12)7-11-8-10(13-2)14-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine has a molecular weight of 202.30 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 106024028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).