2,2-dimethyl-4-pentylpyrrolidine

C11H23N — CID 171473094

IUPAC2,2-dimethyl-4-pentylpyrrolidine
SMILESCCCCCC1CNC(C)(C)C1
InChIInChI=1S/C11H23N/c1-4-5-6-7-10-8-11(2,3)12-9-10/h10,12H,4-9H2,1-3H3
InChIKeyJUMAIGJTYOKPMB-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.95
Rot. Bonds4

About 2,2-dimethyl-4-pentylpyrrolidine

2,2-dimethyl-4-pentylpyrrolidine (PubChem CID 171473094) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,2-dimethyl-4-pentylpyrrolidine.

Molecular Properties

Compound Name2,2-dimethyl-4-pentylpyrrolidine
PubChem CID171473094
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,2-dimethyl-4-pentylpyrrolidine
SMILESCCCCCC1CNC(C)(C)C1
InChIInChI=1S/C11H23N/c1-4-5-6-7-10-8-11(2,3)12-9-10/h10,12H,4-9H2,1-3H3
InChIKeyJUMAIGJTYOKPMB-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-butyl-2,2-dimethylpyrrolidine
CID 139399971
4-decyl-2,2,6-trimethyl-6-propylpiperidine
CID 126541478
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
3-hexylazetidine
CID 79452100
2,6-dihexylspiro[3.3]heptane
CID 58679549
15-hexadecyl-1,4,7,10,13-pentazacyclohexadecane
CID 14178837
3,11-diheptyldispiro[5.1.58.16]tetradecane
CID 18633606
hexane;pentylcyclopropane
CID 159592467
11-pentyl-3-propyldispiro[5.1.58.16]tetradecane
CID 18633801
4-hexadecylpiperidine
CID 54096875
1-butyl-4-(5,5-dimethylpyrrolidin-3-yl)piperazine
CID 117019008
1,4-dihexylcyclohexane
CID 22947938

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-pentylpyrrolidine?
The IUPAC name of 2,2-dimethyl-4-pentylpyrrolidine (CID 171473094) is 2,2-dimethyl-4-pentylpyrrolidine.
What is the SMILES notation for 2,2-dimethyl-4-pentylpyrrolidine?
The canonical SMILES for 2,2-dimethyl-4-pentylpyrrolidine is CCCCCC1CNC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-pentylpyrrolidine?
The InChIKey is JUMAIGJTYOKPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-5-6-7-10-8-11(2,3)12-9-10/h10,12H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-pentylpyrrolidine?
2,2-dimethyl-4-pentylpyrrolidine has a molecular weight of 169.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-pentylpyrrolidine is sourced from PubChem (CID 171473094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).