1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol

C15H29NO — CID 104752981

IUPAC1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol
SMILESCC(C)C1CCCN1CC(O)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-12(2)14-9-6-10-16(14)11-15(17)13-7-4-3-5-8-13/h12-15,17H,3-11H2,1-2H3
InChIKeyQZJZMRGIVGOJHI-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.05
Rot. Bonds4

About 1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol

1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol (PubChem CID 104752981) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol
PubChem CID104752981
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol
SMILESCC(C)C1CCCN1CC(O)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-12(2)14-9-6-10-16(14)11-15(17)13-7-4-3-5-8-13/h12-15,17H,3-11H2,1-2H3
InChIKeyQZJZMRGIVGOJHI-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-amino-3-(2-propan-2-ylpiperidin-1-yl)propan-2-ol
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1-cyclopentyl-2-(2-cyclopentylpyrrolidin-1-yl)ethanol
CID 104752736
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CID 104752803
1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
CID 161279847
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CID 104968497
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CID 59252927
2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 59252931
1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol
CID 65440471
3,3,3-trifluoro-2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]propanoic acid
CID 80996752
1-cyclohexyl-2-(3-ethylmorpholin-4-yl)ethanol
CID 113449096

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol?
The IUPAC name of 1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol (CID 104752981) is 1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol is CC(C)C1CCCN1CC(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol?
The InChIKey is QZJZMRGIVGOJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)14-9-6-10-16(14)11-15(17)13-7-4-3-5-8-13/h12-15,17H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol?
1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol has a molecular weight of 239.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 104752981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).