3,3-dimethyl-1-(2-propylpentyl)pyrrolidine

C14H29N — CID 123859198

IUPAC3,3-dimethyl-1-(2-propylpentyl)pyrrolidine
SMILESCCCC(CCC)CN1CCC(C)(C)C1
InChIInChI=1S/C14H29N/c1-5-7-13(8-6-2)11-15-10-9-14(3,4)12-15/h13H,5-12H2,1-4H3
InChIKeyUEQXEDKIMCWDEV-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.93
Rot. Bonds6

About 3,3-dimethyl-1-(2-propylpentyl)pyrrolidine

3,3-dimethyl-1-(2-propylpentyl)pyrrolidine (PubChem CID 123859198) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-propylpentyl)pyrrolidine.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-propylpentyl)pyrrolidine
PubChem CID123859198
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name3,3-dimethyl-1-(2-propylpentyl)pyrrolidine
SMILESCCCC(CCC)CN1CCC(C)(C)C1
InChIInChI=1S/C14H29N/c1-5-7-13(8-6-2)11-15-10-9-14(3,4)12-15/h13H,5-12H2,1-4H3
InChIKeyUEQXEDKIMCWDEV-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylpentyl)-3,3-difluoropyrrolidine
CID 130419412
7-methyl-2-(2-propylpentyl)-2,7-diazaspiro[3.5]nonane
CID 171656992
2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol
CID 114279629
3,3-difluoro-1-(2-heptylnonyl)pyrrolidine
CID 130348172
4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid
CID 82770051
1-(2,6-dimethylmorpholin-4-yl)-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol
CID 111489909
4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine
CID 177033063
2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366406
2-(8-azaspiro[4.5]decan-8-ylmethyl)pentan-1-amine
CID 65233266
1-cyclopentyl-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 104753013
1-(2-ethylbutyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65064170
1-cyclopentyl-2-(3,3-dimethylpyrrolidin-1-yl)-N-methylethanamine
CID 104746766

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-propylpentyl)pyrrolidine?
The IUPAC name of 3,3-dimethyl-1-(2-propylpentyl)pyrrolidine (CID 123859198) is 3,3-dimethyl-1-(2-propylpentyl)pyrrolidine.
What is the SMILES notation for 3,3-dimethyl-1-(2-propylpentyl)pyrrolidine?
The canonical SMILES for 3,3-dimethyl-1-(2-propylpentyl)pyrrolidine is CCCC(CCC)CN1CCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-(2-propylpentyl)pyrrolidine?
The InChIKey is UEQXEDKIMCWDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-7-13(8-6-2)11-15-10-9-14(3,4)12-15/h13H,5-12H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(2-propylpentyl)pyrrolidine?
3,3-dimethyl-1-(2-propylpentyl)pyrrolidine has a molecular weight of 211.39 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-propylpentyl)pyrrolidine is sourced from PubChem (CID 123859198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).