2-(3,3-dimethylbutoxymethyl)pyrrolidine

C11H23NO — CID 62335099

IUPAC2-(3,3-dimethylbutoxymethyl)pyrrolidine
SMILESCC(C)(C)CCOCC1CCCN1
InChIInChI=1S/C11H23NO/c1-11(2,3)6-8-13-9-10-5-4-7-12-10/h10,12H,4-9H2,1-3H3
InChIKeyOMBQULPBHUPRIU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds4

About 2-(3,3-dimethylbutoxymethyl)pyrrolidine

2-(3,3-dimethylbutoxymethyl)pyrrolidine (PubChem CID 62335099) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxymethyl)pyrrolidine
PubChem CID62335099
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(3,3-dimethylbutoxymethyl)pyrrolidine
SMILESCC(C)(C)CCOCC1CCCN1
InChIInChI=1S/C11H23NO/c1-11(2,3)6-8-13-9-10-5-4-7-12-10/h10,12H,4-9H2,1-3H3
InChIKeyOMBQULPBHUPRIU-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
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-(4,4,4-trifluorobutoxymethyl)pyrrolidine
CID 115514545
(2R)-2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
CID 102820223
2-(4-methoxybutoxymethyl)pyrrolidine
CID 104648269
(2R)-2-(octoxymethyl)pyrrolidine
CID 102820024
2-(3,3-difluorobutoxymethyl)azetidine
CID 84656869
(2R)-2-[2-(2-methylpropoxy)ethoxymethyl]pyrrolidine
CID 106447713
(2R)-2-[3-(2-methoxyethoxy)propoxymethyl]pyrrolidine
CID 103402661
2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 20765506
2-(2-propoxyethoxymethyl)piperidine
CID 63684377
(2S)-2-(cyclopropylmethoxymethyl)pyrrolidine
CID 59651686
(2R)-2-(cyclopropylmethoxymethyl)pyrrolidine
CID 102820123
2-(ethoxymethyl)pyrrolidine;2-(methoxymethyl)pyrrolidine
CID 145216939

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxymethyl)pyrrolidine?
The IUPAC name of 2-(3,3-dimethylbutoxymethyl)pyrrolidine (CID 62335099) is 2-(3,3-dimethylbutoxymethyl)pyrrolidine.
What is the SMILES notation for 2-(3,3-dimethylbutoxymethyl)pyrrolidine?
The canonical SMILES for 2-(3,3-dimethylbutoxymethyl)pyrrolidine is CC(C)(C)CCOCC1CCCN1.
What is the InChIKey of 2-(3,3-dimethylbutoxymethyl)pyrrolidine?
The InChIKey is OMBQULPBHUPRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,3)6-8-13-9-10-5-4-7-12-10/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutoxymethyl)pyrrolidine?
2-(3,3-dimethylbutoxymethyl)pyrrolidine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxymethyl)pyrrolidine is sourced from PubChem (CID 62335099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).