1-(3,3-diethoxypropyl)-3-methylpyrrolidine

C12H25NO2 — CID 63629448

IUPAC1-(3,3-diethoxypropyl)-3-methylpyrrolidine
SMILESCCOC(CCN1CCC(C)C1)OCC
InChIInChI=1S/C12H25NO2/c1-4-14-12(15-5-2)7-9-13-8-6-11(3)10-13/h11-12H,4-10H2,1-3H3
InChIKeySTEJDAPYTZCOTA-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.12
Rot. Bonds7

About 1-(3,3-diethoxypropyl)-3-methylpyrrolidine

1-(3,3-diethoxypropyl)-3-methylpyrrolidine (PubChem CID 63629448) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)-3-methylpyrrolidine
PubChem CID63629448
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(3,3-diethoxypropyl)-3-methylpyrrolidine
SMILESCCOC(CCN1CCC(C)C1)OCC
InChIInChI=1S/C12H25NO2/c1-4-14-12(15-5-2)7-9-13-8-6-11(3)10-13/h11-12H,4-10H2,1-3H3
InChIKeySTEJDAPYTZCOTA-UHFFFAOYSA-N
XLogP2.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-Diethoxypropyl)pyrrolidine
CID 3783360
1-(4,4-Diethoxybutyl)pyrrolidine
CID 57067774
1-(4,4-Diethoxybut-2-ynyl)pyrrolidine
CID 11789085
N-[[4-(dimethoxymethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine
CID 18723539
2,5-Dimethoxy-3-dimethylaminomethyltetrahydrofuran
CID 20158836
1-(3,3-Dimethoxypropyl)pyrrolidine
CID 22466586
N-[(2,5-dimethoxyoxolan-3-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 22975527
1-[1-(1-Methoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium
CID 23091893
1-[1-(1-Methoxyethoxy)ethyl]pyrrolidine
CID 67494601
1-[1-(1-Propoxyethoxy)ethyl]pyrrolidine
CID 68588823
1-Ethyl-1-[1-(1-methoxyethoxy)ethyl]pyrrolidin-1-ium
CID 68588824
1-[1-(1-Ethoxyethoxy)ethyl]-1-propylpyrrolidin-1-ium
CID 68589159

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxypropyl)-3-methylpyrrolidine?
The IUPAC name of 1-(3,3-diethoxypropyl)-3-methylpyrrolidine (CID 63629448) is 1-(3,3-diethoxypropyl)-3-methylpyrrolidine.
What is the SMILES notation for 1-(3,3-diethoxypropyl)-3-methylpyrrolidine?
The canonical SMILES for 1-(3,3-diethoxypropyl)-3-methylpyrrolidine is CCOC(CCN1CCC(C)C1)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)-3-methylpyrrolidine?
The InChIKey is STEJDAPYTZCOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-14-12(15-5-2)7-9-13-8-6-11(3)10-13/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-(3,3-diethoxypropyl)-3-methylpyrrolidine?
1-(3,3-diethoxypropyl)-3-methylpyrrolidine has a molecular weight of 215.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxypropyl)-3-methylpyrrolidine is sourced from PubChem (CID 63629448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).