[(2S)-1-decylpyrrolidin-2-yl]methanol

C15H31NO — CID 79003239

IUPAC[(2S)-1-decylpyrrolidin-2-yl]methanol
SMILESCCCCCCCCCCN1CCC[C@H]1CO
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-9-12-16-13-10-11-15(16)14-17/h15,17H,2-14H2,1H3/t15-/m0/s1
InChIKeyNZWMZCWDSKRJFT-HNNXBMFYSA-N
MW241.42 g/mol
LogP3.58
Rot. Bonds10

About [(2S)-1-decylpyrrolidin-2-yl]methanol

[(2S)-1-decylpyrrolidin-2-yl]methanol (PubChem CID 79003239) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is [(2S)-1-decylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-decylpyrrolidin-2-yl]methanol
PubChem CID79003239
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name[(2S)-1-decylpyrrolidin-2-yl]methanol
SMILESCCCCCCCCCCN1CCC[C@H]1CO
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-9-12-16-13-10-11-15(16)14-17/h15,17H,2-14H2,1H3/t15-/m0/s1
InChIKeyNZWMZCWDSKRJFT-HNNXBMFYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.58
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

(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
2-ethyl-1-undecylpyrrolidine
CID 171569857
2-(1-pentylpyrrolidin-2-yl)ethanol
CID 117028513
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methanol
CID 62735847
2-(1-octylpiperidin-2-yl)ethanol
CID 62020097
2-butyl-1-dodecylpyrrolidine;methanesulfonic acid
CID 175583822
[(2S)-1-[2-(4-dodecylphenyl)ethyl]pyrrolidin-2-yl]methanol
CID 72735622
2-ethyl-1-pentylpyrrolidine;methanesulfonic acid
CID 175584157

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-decylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-decylpyrrolidin-2-yl]methanol (CID 79003239) is [(2S)-1-decylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-decylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-decylpyrrolidin-2-yl]methanol is CCCCCCCCCCN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-decylpyrrolidin-2-yl]methanol?
The InChIKey is NZWMZCWDSKRJFT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-9-12-16-13-10-11-15(16)14-17/h15,17H,2-14H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-1-decylpyrrolidin-2-yl]methanol?
[(2S)-1-decylpyrrolidin-2-yl]methanol has a molecular weight of 241.42 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-decylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 79003239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).