1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine

C12H25NO — CID 89027797

IUPAC1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine
SMILESCC(C)(C)OCCCCN1CCCC1
InChIInChI=1S/C12H25NO/c1-12(2,3)14-11-7-6-10-13-8-4-5-9-13/h4-11H2,1-3H3
InChIKeyLUZSVNATKGTEMF-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.68
Rot. Bonds5

About 1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine

1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine (PubChem CID 89027797) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine
PubChem CID89027797
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine
SMILESCC(C)(C)OCCCCN1CCCC1
InChIInChI=1S/C12H25NO/c1-12(2,3)14-11-7-6-10-13-8-4-5-9-13/h4-11H2,1-3H3
InChIKeyLUZSVNATKGTEMF-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
CID 134488975
1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
CID 171447106
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine
CID 155296815
1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
CID 134488979
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
ethane;1-(8-methoxyoctyl)piperidine
CID 142390794
N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine
CID 170390265
2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepan-1-yl]acetic acid
CID 112590598
12-pyrrolidin-1-yldodecyl 2,2-difluoropropanoate
CID 58341569
7-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-oxa-7-azaspiro[3.5]nonane
CID 176757500
1-[6-(4-tert-butylphenoxy)hexyl]pyrrolidine
CID 2232435
1-(11,11-dimethyldodecyl)piperidine
CID 118887407

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine?
The IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine (CID 89027797) is 1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine.
What is the SMILES notation for 1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine?
The canonical SMILES for 1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine is CC(C)(C)OCCCCN1CCCC1.
What is the InChIKey of 1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine?
The InChIKey is LUZSVNATKGTEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,3)14-11-7-6-10-13-8-4-5-9-13/h4-11H2,1-3H3.
What are the key properties of 1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine?
1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine has a molecular weight of 199.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine is sourced from PubChem (CID 89027797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).