3-nonan-3-ylpyrrolidine

C13H27N — CID 146488434

IUPAC3-nonan-3-ylpyrrolidine
SMILESCCCCCCC(CC)C1CCNC1
InChIInChI=1S/C13H27N/c1-3-5-6-7-8-12(4-2)13-9-10-14-11-13/h12-14H,3-11H2,1-2H3
InChIKeyVBBAYCFVGNEYAY-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds7

About 3-nonan-3-ylpyrrolidine

3-nonan-3-ylpyrrolidine (PubChem CID 146488434) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-nonan-3-ylpyrrolidine.

Molecular Properties

Compound Name3-nonan-3-ylpyrrolidine
PubChem CID146488434
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-nonan-3-ylpyrrolidine
SMILESCCCCCCC(CC)C1CCNC1
InChIInChI=1S/C13H27N/c1-3-5-6-7-8-12(4-2)13-9-10-14-11-13/h12-14H,3-11H2,1-2H3
InChIKeyVBBAYCFVGNEYAY-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
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

nonan-3-ylcyclopentane
CID 19893531
2-pyrrolidin-3-ylbutan-1-amine
CID 82594434
4-(1-fluoroundecyl)piperidine
CID 112563659
1-piperidin-4-ylundecan-1-ol
CID 80560155
4-heptan-2-ylpiperidine
CID 143122379
4-octan-4-ylpiperidine
CID 143122305
hexadecan-8-ylcyclohexane
CID 91510029
N-ethyl-N-nonan-2-ylpyrrolidin-3-amine
CID 63299683
N-ethyl-N-octan-2-ylpyrrolidin-3-amine
CID 63299767
3-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidine
CID 146228066
undecan-5-ylcyclohexane
CID 524419
6-pentadecan-3-ylcycloundecane-1-carboxylic acid
CID 71129172

Frequently Asked Questions

What is the IUPAC name of 3-nonan-3-ylpyrrolidine?
The IUPAC name of 3-nonan-3-ylpyrrolidine (CID 146488434) is 3-nonan-3-ylpyrrolidine.
What is the SMILES notation for 3-nonan-3-ylpyrrolidine?
The canonical SMILES for 3-nonan-3-ylpyrrolidine is CCCCCCC(CC)C1CCNC1.
What is the InChIKey of 3-nonan-3-ylpyrrolidine?
The InChIKey is VBBAYCFVGNEYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-3-5-6-7-8-12(4-2)13-9-10-14-11-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-nonan-3-ylpyrrolidine?
3-nonan-3-ylpyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonan-3-ylpyrrolidine is sourced from PubChem (CID 146488434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).