[1-(2,2-diethoxyethyl)pyrrolidin-3-yl]methanamine

C11H24N2O2 — CID 63617163

IUPAC[1-(2,2-diethoxyethyl)pyrrolidin-3-yl]methanamine
SMILESCCOC(CN1CCC(CN)C1)OCC
InChIInChI=1S/C11H24N2O2/c1-3-14-11(15-4-2)9-13-6-5-10(7-12)8-13/h10-11H,3-9,12H2,1-2H3
InChIKeyYDWBIDPACPWZBO-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.67
Rot. Bonds7

About [1-(2,2-diethoxyethyl)pyrrolidin-3-yl]methanamine

[1-(2,2-diethoxyethyl)pyrrolidin-3-yl]methanamine (PubChem CID 63617163) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is [1-(2,2-diethoxyethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2-diethoxyethyl)pyrrolidin-3-yl]methanamine
PubChem CID63617163
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name[1-(2,2-diethoxyethyl)pyrrolidin-3-yl]methanamine
SMILESCCOC(CN1CCC(CN)C1)OCC
InChIInChI=1S/C11H24N2O2/c1-3-14-11(15-4-2)9-13-6-5-10(7-12)8-13/h10-11H,3-9,12H2,1-2H3
InChIKeyYDWBIDPACPWZBO-UHFFFAOYSA-N
XLogP0.67
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.67
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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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-diethoxyethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2,2-diethoxyethyl)pyrrolidin-3-yl]methanamine (CID 63617163) is [1-(2,2-diethoxyethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,2-diethoxyethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2,2-diethoxyethyl)pyrrolidin-3-yl]methanamine is CCOC(CN1CCC(CN)C1)OCC.
What is the InChIKey of [1-(2,2-diethoxyethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is YDWBIDPACPWZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-14-11(15-4-2)9-13-6-5-10(7-12)8-13/h10-11H,3-9,12H2,1-2H3.
What are the key properties of [1-(2,2-diethoxyethyl)pyrrolidin-3-yl]methanamine?
[1-(2,2-diethoxyethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 216.32 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-diethoxyethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 63617163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).