2,2,5,5-tetramethyl-3-(propoxymethyl)pyrrolidine

C12H25NO — CID 145268424

IUPAC2,2,5,5-tetramethyl-3-(propoxymethyl)pyrrolidine
SMILESCCCOCC1CC(C)(C)NC1(C)C
InChIInChI=1S/C12H25NO/c1-6-7-14-9-10-8-11(2,3)13-12(10,4)5/h10,13H,6-9H2,1-5H3
InChIKeyHNADKGWAHWXWDM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds4

About 2,2,5,5-tetramethyl-3-(propoxymethyl)pyrrolidine

2,2,5,5-tetramethyl-3-(propoxymethyl)pyrrolidine (PubChem CID 145268424) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-3-(propoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-3-(propoxymethyl)pyrrolidine
PubChem CID145268424
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,2,5,5-tetramethyl-3-(propoxymethyl)pyrrolidine
SMILESCCCOCC1CC(C)(C)NC1(C)C
InChIInChI=1S/C12H25NO/c1-6-7-14-9-10-8-11(2,3)13-12(10,4)5/h10,13H,6-9H2,1-5H3
InChIKeyHNADKGWAHWXWDM-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate
CID 141421485
bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,4-dicarboxylate
CID 138723963
tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 2-hydroxypropane-1,2,3-tricarboxylate
CID 138723945
N-(4-methylcyclohexyl)-4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxymethyl]cyclohexane-1-carboxamide
CID 146527728
tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] butane-1,2,3,4-tetracarboxylate
CID 138723976
3-(isothiocyanatomethyl)-2,2,5,5-tetramethylpyrrolidine
CID 22895099
N,N-bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;N,N-bis[2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethanamine;2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-N,N-bis[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]ethanamine;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[bis[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;dihydrate
CID 159296734
3-[2-[2,5-bis[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethoxy]phenoxy]ethoxymethyl]-2,2,5,5-tetramethylpyrrolidine;1-hydroxy-3-[2-[4-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethoxy]-2-[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethoxy]phenoxy]ethoxymethyl]-2,2,5,5-tetramethylpyrrolidine;methane;1,2,2,5,5-pentamethyl-3-[2-[4-[2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethoxy]-2-[2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethoxy]phenoxy]ethoxymethyl]pyrrolidine;hydrate
CID 160930700
4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine
CID 81014415
CID 140895380
CID 140895380
4-(propoxymethyl)spiro[7-oxabicyclo[4.1.0]heptane-3,1'-cyclobutane]
CID 139927662
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-3-(propoxymethyl)pyrrolidine?
The IUPAC name of 2,2,5,5-tetramethyl-3-(propoxymethyl)pyrrolidine (CID 145268424) is 2,2,5,5-tetramethyl-3-(propoxymethyl)pyrrolidine.
What is the SMILES notation for 2,2,5,5-tetramethyl-3-(propoxymethyl)pyrrolidine?
The canonical SMILES for 2,2,5,5-tetramethyl-3-(propoxymethyl)pyrrolidine is CCCOCC1CC(C)(C)NC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-3-(propoxymethyl)pyrrolidine?
The InChIKey is HNADKGWAHWXWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-7-14-9-10-8-11(2,3)13-12(10,4)5/h10,13H,6-9H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-3-(propoxymethyl)pyrrolidine?
2,2,5,5-tetramethyl-3-(propoxymethyl)pyrrolidine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-3-(propoxymethyl)pyrrolidine is sourced from PubChem (CID 145268424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).