1-(3,3-diethoxypropyl)pyrrolidin-3-amine

C11H24N2O2 — CID 63628606

IUPAC1-(3,3-diethoxypropyl)pyrrolidin-3-amine
SMILESCCOC(CCN1CCC(N)C1)OCC
InChIInChI=1S/C11H24N2O2/c1-3-14-11(15-4-2)6-8-13-7-5-10(12)9-13/h10-11H,3-9,12H2,1-2H3
InChIKeyOOIIDXJKAYINJD-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.81
Rot. Bonds7

About 1-(3,3-diethoxypropyl)pyrrolidin-3-amine

1-(3,3-diethoxypropyl)pyrrolidin-3-amine (PubChem CID 63628606) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)pyrrolidin-3-amine
PubChem CID63628606
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1-(3,3-diethoxypropyl)pyrrolidin-3-amine
SMILESCCOC(CCN1CCC(N)C1)OCC
InChIInChI=1S/C11H24N2O2/c1-3-14-11(15-4-2)6-8-13-7-5-10(12)9-13/h10-11H,3-9,12H2,1-2H3
InChIKeyOOIIDXJKAYINJD-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
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-(3,3-diethoxypropyl)pyrrolidin-3-amine?
The IUPAC name of 1-(3,3-diethoxypropyl)pyrrolidin-3-amine (CID 63628606) is 1-(3,3-diethoxypropyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(3,3-diethoxypropyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(3,3-diethoxypropyl)pyrrolidin-3-amine is CCOC(CCN1CCC(N)C1)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)pyrrolidin-3-amine?
The InChIKey is OOIIDXJKAYINJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-14-11(15-4-2)6-8-13-7-5-10(12)9-13/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 1-(3,3-diethoxypropyl)pyrrolidin-3-amine?
1-(3,3-diethoxypropyl)pyrrolidin-3-amine has a molecular weight of 216.32 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)pyrrolidin-3-amine is sourced from PubChem (CID 63628606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).