[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol

C12H25NO2 — CID 62013980

IUPAC[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol
SMILESCC(C)CCOCCN1CCCC1CO
InChIInChI=1S/C12H25NO2/c1-11(2)5-8-15-9-7-13-6-3-4-12(13)10-14/h11-12,14H,3-10H2,1-2H3
InChIKeyPWOSLPOQXGCAND-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds7

About [1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol

[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol (PubChem CID 62013980) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is [1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol
PubChem CID62013980
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol
SMILESCC(C)CCOCCN1CCCC1CO
InChIInChI=1S/C12H25NO2/c1-11(2)5-8-15-9-7-13-6-3-4-12(13)10-14/h11-12,14H,3-10H2,1-2H3
InChIKeyPWOSLPOQXGCAND-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.51
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

[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanol
CID 61355562
[(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol
CID 100627976
[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol
CID 62735847
[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methanol
CID 112734321
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581454
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406
[(2S)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]methanol
CID 175634207
N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine
CID 62580582
1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrolidin-2-yl]propan-2-ol
CID 114338597
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
2-(bromomethyl)-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
CID 106457738

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol (CID 62013980) is [1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol is CC(C)CCOCCN1CCCC1CO.
What is the InChIKey of [1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is PWOSLPOQXGCAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2)5-8-15-9-7-13-6-3-4-12(13)10-14/h11-12,14H,3-10H2,1-2H3.
What are the key properties of [1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol?
[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 215.34 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62013980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).