3-(4-methoxybutoxymethyl)pyrrolidine

C10H21NO2 — CID 104648277

IUPAC3-(4-methoxybutoxymethyl)pyrrolidine
SMILESCOCCCCOCC1CCNC1
InChIInChI=1S/C10H21NO2/c1-12-6-2-3-7-13-9-10-4-5-11-8-10/h10-11H,2-9H2,1H3
InChIKeyHFUNRSMYVZYFRR-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.04
Rot. Bonds7

About 3-(4-methoxybutoxymethyl)pyrrolidine

3-(4-methoxybutoxymethyl)pyrrolidine (PubChem CID 104648277) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(4-methoxybutoxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-(4-methoxybutoxymethyl)pyrrolidine
PubChem CID104648277
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(4-methoxybutoxymethyl)pyrrolidine
SMILESCOCCCCOCC1CCNC1
InChIInChI=1S/C10H21NO2/c1-12-6-2-3-7-13-9-10-4-5-11-8-10/h10-11H,2-9H2,1H3
InChIKeyHFUNRSMYVZYFRR-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(pentoxymethyl)pyrrolidine;hydrochloride
CID 53409474
(3S)-3-(2-propoxyethoxymethyl)pyrrolidine
CID 86320893
3-(2-ethoxyethoxymethyl)pyrrolidine;hydrochloride
CID 56829885
(3R)-3-(2-fluoroethoxymethyl)pyrrolidine
CID 86320647
(3R)-3-[2-(2-methoxyethoxy)ethyl]pyrrolidine
CID 86324088
(3S)-3-(cyclobutylmethoxymethyl)pyrrolidine
CID 86321931
3-(cyclopropylmethoxymethoxymethyl)pyrrolidine
CID 106938116
N-(5-methoxypentyl)-2-pyrrolidin-3-ylacetamide
CID 104954739
2-methoxy-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 63006353
2-methyl-1-(pyrrolidin-3-ylmethoxy)propan-2-ol
CID 106939814
1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)cyclohexane
CID 126699389
3-(2-heptoxyethyl)pyrrolidine
CID 114795978

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutoxymethyl)pyrrolidine?
The IUPAC name of 3-(4-methoxybutoxymethyl)pyrrolidine (CID 104648277) is 3-(4-methoxybutoxymethyl)pyrrolidine.
What is the SMILES notation for 3-(4-methoxybutoxymethyl)pyrrolidine?
The canonical SMILES for 3-(4-methoxybutoxymethyl)pyrrolidine is COCCCCOCC1CCNC1.
What is the InChIKey of 3-(4-methoxybutoxymethyl)pyrrolidine?
The InChIKey is HFUNRSMYVZYFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-12-6-2-3-7-13-9-10-4-5-11-8-10/h10-11H,2-9H2,1H3.
What are the key properties of 3-(4-methoxybutoxymethyl)pyrrolidine?
3-(4-methoxybutoxymethyl)pyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutoxymethyl)pyrrolidine is sourced from PubChem (CID 104648277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).