3-pentoxy-1-pentylpyrrolidine

C14H29NO — CID 67812349

IUPAC3-pentoxy-1-pentylpyrrolidine
SMILESCCCCCOC1CCN(CCCCC)C1
InChIInChI=1S/C14H29NO/c1-3-5-7-10-15-11-9-14(13-15)16-12-8-6-4-2/h14H,3-13H2,1-2H3
InChIKeyBZJGLMOTJSNRRZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.46
Rot. Bonds9

About 3-pentoxy-1-pentylpyrrolidine

3-pentoxy-1-pentylpyrrolidine (PubChem CID 67812349) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-pentoxy-1-pentylpyrrolidine.

Molecular Properties

Compound Name3-pentoxy-1-pentylpyrrolidine
PubChem CID67812349
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-pentoxy-1-pentylpyrrolidine
SMILESCCCCCOC1CCN(CCCCC)C1
InChIInChI=1S/C14H29NO/c1-3-5-7-10-15-11-9-14(13-15)16-12-8-6-4-2/h14H,3-13H2,1-2H3
InChIKeyBZJGLMOTJSNRRZ-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-butyl-3-[2-(2-methoxyethoxy)ethoxy]pyrrolidine
CID 177319162
4-butoxy-1-(5-methylhexyl)piperidine
CID 156530555
1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine
CID 155331336
(3S)-1-methyl-3-[(Z)-octadec-12-enoxy]pyrrolidine
CID 134387955
(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510
heptoxycyclopropane
CID 54099544
(4-butoxypiperidin-1-yl)methanamine
CID 142616316
3-butyl-1-hexylpyrrolidine
CID 171570679
1-hexyl-3-(2-methylpropyl)pyrrolidine
CID 169242044
4-butoxy-1-methylpiperidine;ethane
CID 143443948
4-(3-propoxypiperidin-1-yl)-N-propylbutan-1-amine
CID 62411709

Frequently Asked Questions

What is the IUPAC name of 3-pentoxy-1-pentylpyrrolidine?
The IUPAC name of 3-pentoxy-1-pentylpyrrolidine (CID 67812349) is 3-pentoxy-1-pentylpyrrolidine.
What is the SMILES notation for 3-pentoxy-1-pentylpyrrolidine?
The canonical SMILES for 3-pentoxy-1-pentylpyrrolidine is CCCCCOC1CCN(CCCCC)C1.
What is the InChIKey of 3-pentoxy-1-pentylpyrrolidine?
The InChIKey is BZJGLMOTJSNRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-5-7-10-15-11-9-14(13-15)16-12-8-6-4-2/h14H,3-13H2,1-2H3.
What are the key properties of 3-pentoxy-1-pentylpyrrolidine?
3-pentoxy-1-pentylpyrrolidine has a molecular weight of 227.39 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxy-1-pentylpyrrolidine is sourced from PubChem (CID 67812349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).