[(2R)-1-heptylpyrrolidin-2-yl]methanol

C12H25NO — CID 64982587

IUPAC[(2R)-1-heptylpyrrolidin-2-yl]methanol
SMILESCCCCCCCN1CCC[C@@H]1CO
InChIInChI=1S/C12H25NO/c1-2-3-4-5-6-9-13-10-7-8-12(13)11-14/h12,14H,2-11H2,1H3/t12-/m1/s1
InChIKeyOPYWAGFEDHMWTH-GFCCVEGCSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds7

About [(2R)-1-heptylpyrrolidin-2-yl]methanol

[(2R)-1-heptylpyrrolidin-2-yl]methanol (PubChem CID 64982587) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [(2R)-1-heptylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-heptylpyrrolidin-2-yl]methanol
PubChem CID64982587
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[(2R)-1-heptylpyrrolidin-2-yl]methanol
SMILESCCCCCCCN1CCC[C@@H]1CO
InChIInChI=1S/C12H25NO/c1-2-3-4-5-6-9-13-10-7-8-12(13)11-14/h12,14H,2-11H2,1H3/t12-/m1/s1
InChIKeyOPYWAGFEDHMWTH-GFCCVEGCSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.41
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
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
[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 [(2R)-1-heptylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-heptylpyrrolidin-2-yl]methanol (CID 64982587) is [(2R)-1-heptylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-heptylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-heptylpyrrolidin-2-yl]methanol is CCCCCCCN1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-heptylpyrrolidin-2-yl]methanol?
The InChIKey is OPYWAGFEDHMWTH-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-4-5-6-9-13-10-7-8-12(13)11-14/h12,14H,2-11H2,1H3/t12-/m1/s1.
What are the key properties of [(2R)-1-heptylpyrrolidin-2-yl]methanol?
[(2R)-1-heptylpyrrolidin-2-yl]methanol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-heptylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 64982587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).