3-(pentoxymethyl)pyrrolidine;hydrochloride

C10H22ClNO — CID 53409474

IUPAC3-(pentoxymethyl)pyrrolidine;hydrochloride
SMILESCCCCCOCC1CCNC1.Cl
InChIInChI=1S/C10H21NO.ClH/c1-2-3-4-7-12-9-10-5-6-11-8-10;/h10-11H,2-9H2,1H3;1H
InChIKeyYUSHOSQYNFIYLZ-UHFFFAOYSA-N
MW207.74 g/mol
LogP2.22
Rot. Bonds6

About 3-(pentoxymethyl)pyrrolidine;hydrochloride

3-(pentoxymethyl)pyrrolidine;hydrochloride (PubChem CID 53409474) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is 3-(pentoxymethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(pentoxymethyl)pyrrolidine;hydrochloride
PubChem CID53409474
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Name3-(pentoxymethyl)pyrrolidine;hydrochloride
SMILESCCCCCOCC1CCNC1.Cl
InChIInChI=1S/C10H21NO.ClH/c1-2-3-4-7-12-9-10-5-6-11-8-10;/h10-11H,2-9H2,1H3;1H
InChIKeyYUSHOSQYNFIYLZ-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 104648277
(3S)-3-(2-propoxyethoxymethyl)pyrrolidine
CID 86320893
3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride
CID 56829885
3-(2-heptoxyethyl)pyrrolidine
CID 114795978
(3R)-3-(2-fluoroethoxymethyl)pyrrolidine
CID 86320647
(3S)-3-pentylpyrrolidine
CID 10261191
dodecoxymethylcyclopropane;methane;tetradecoxymethylcyclopropane;tridecoxymethylcyclopropane
CID 161458556
3-(cyclopropylmethoxymethoxymethyl)pyrrolidine
CID 106938116
(3S)-3-(cyclobutylmethoxymethyl)pyrrolidine
CID 86321931
3-(2-propoxyethyl)pyrrolidine
CID 114796170
3-(ethoxymethyl)piperidine;hydrochloride
CID 17178071
(3R)-3-(ethoxymethyl)piperidine
CID 42427178

Frequently Asked Questions

What is the IUPAC name of 3-(pentoxymethyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(pentoxymethyl)pyrrolidine;hydrochloride (CID 53409474) is 3-(pentoxymethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(pentoxymethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(pentoxymethyl)pyrrolidine;hydrochloride is CCCCCOCC1CCNC1.Cl.
What is the InChIKey of 3-(pentoxymethyl)pyrrolidine;hydrochloride?
The InChIKey is YUSHOSQYNFIYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.ClH/c1-2-3-4-7-12-9-10-5-6-11-8-10;/h10-11H,2-9H2,1H3;1H.
What are the key properties of 3-(pentoxymethyl)pyrrolidine;hydrochloride?
3-(pentoxymethyl)pyrrolidine;hydrochloride has a molecular weight of 207.74 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentoxymethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 53409474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).