3,3-diethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine

C14H30N2O2 — CID 63628957

IUPAC3,3-diethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCOC(CCN(C)CC1CCN(C)C1)OCC
InChIInChI=1S/C14H30N2O2/c1-5-17-14(18-6-2)8-10-16(4)12-13-7-9-15(3)11-13/h13-14H,5-12H2,1-4H3
InChIKeyLMSAYBPAYXQABD-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.66
Rot. Bonds9

About 3,3-diethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine

3,3-diethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine (PubChem CID 63628957) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3,3-diethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3-diethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
PubChem CID63628957
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name3,3-diethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCCOC(CCN(C)CC1CCN(C)C1)OCC
InChIInChI=1S/C14H30N2O2/c1-5-17-14(18-6-2)8-10-16(4)12-13-7-9-15(3)11-13/h13-14H,5-12H2,1-4H3
InChIKeyLMSAYBPAYXQABD-UHFFFAOYSA-N
XLogP1.66
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
The IUPAC name of 3,3-diethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine (CID 63628957) is 3,3-diethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3-diethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3-diethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine is CCOC(CCN(C)CC1CCN(C)C1)OCC.
What is the InChIKey of 3,3-diethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
The InChIKey is LMSAYBPAYXQABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-17-14(18-6-2)8-10-16(4)12-13-7-9-15(3)11-13/h13-14H,5-12H2,1-4H3.
What are the key properties of 3,3-diethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
3,3-diethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 1.66, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63628957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).