(1-cyclohexyl-5-methylpyrrolidin-3-yl)methanol

C12H23NO — CID 172620416

IUPAC(1-cyclohexyl-5-methylpyrrolidin-3-yl)methanol
SMILESCC1CC(CO)CN1C1CCCCC1
InChIInChI=1S/C12H23NO/c1-10-7-11(9-14)8-13(10)12-5-3-2-4-6-12/h10-12,14H,2-9H2,1H3
InChIKeyVIJSMRFRULGYFX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds2

About (1-cyclohexyl-5-methylpyrrolidin-3-yl)methanol

(1-cyclohexyl-5-methylpyrrolidin-3-yl)methanol (PubChem CID 172620416) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (1-cyclohexyl-5-methylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-cyclohexyl-5-methylpyrrolidin-3-yl)methanol
PubChem CID172620416
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(1-cyclohexyl-5-methylpyrrolidin-3-yl)methanol
SMILESCC1CC(CO)CN1C1CCCCC1
InChIInChI=1S/C12H23NO/c1-10-7-11(9-14)8-13(10)12-5-3-2-4-6-12/h10-12,14H,2-9H2,1H3
InChIKeyVIJSMRFRULGYFX-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2,4-dimethylpyrrolidine
CID 126997653
(1,5-dimethylpyrrolidin-3-yl)methanol;ethane
CID 144977240
(3S,5S)-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 92786638
[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol
CID 160603058
[(2R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol
CID 92544933
(2S)-1-cyclopropyl-2-methylaziridine
CID 147795465
cyclotetradecylmethanol
CID 23468347
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498
(1-cyclopentyl-3-methylpyrrolidin-2-yl)methanol
CID 102788516
4-cycloheptyl-3-methylpiperazine-1-carboxylic acid
CID 146188408
N-cyclopentyl-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685080
5-bromo-1-cyclopentyl-2-methylpiperidine
CID 131123580

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-5-methylpyrrolidin-3-yl)methanol?
The IUPAC name of (1-cyclohexyl-5-methylpyrrolidin-3-yl)methanol (CID 172620416) is (1-cyclohexyl-5-methylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-cyclohexyl-5-methylpyrrolidin-3-yl)methanol?
The canonical SMILES for (1-cyclohexyl-5-methylpyrrolidin-3-yl)methanol is CC1CC(CO)CN1C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-5-methylpyrrolidin-3-yl)methanol?
The InChIKey is VIJSMRFRULGYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-7-11(9-14)8-13(10)12-5-3-2-4-6-12/h10-12,14H,2-9H2,1H3.
What are the key properties of (1-cyclohexyl-5-methylpyrrolidin-3-yl)methanol?
(1-cyclohexyl-5-methylpyrrolidin-3-yl)methanol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-5-methylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 172620416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).