[1-(3-cyclohexylpropyl)-3-ethylpyrrolidin-3-yl]methanol

C16H31NO — CID 123286887

IUPAC[1-(3-cyclohexylpropyl)-3-ethylpyrrolidin-3-yl]methanol
SMILESCCC1(CO)CCN(CCCC2CCCCC2)C1
InChIInChI=1S/C16H31NO/c1-2-16(14-18)10-12-17(13-16)11-6-9-15-7-4-3-5-8-15/h15,18H,2-14H2,1H3
InChIKeyYICUZILJBRAETR-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds6

About [1-(3-cyclohexylpropyl)-3-ethylpyrrolidin-3-yl]methanol

[1-(3-cyclohexylpropyl)-3-ethylpyrrolidin-3-yl]methanol (PubChem CID 123286887) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is [1-(3-cyclohexylpropyl)-3-ethylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-cyclohexylpropyl)-3-ethylpyrrolidin-3-yl]methanol
PubChem CID123286887
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name[1-(3-cyclohexylpropyl)-3-ethylpyrrolidin-3-yl]methanol
SMILESCCC1(CO)CCN(CCCC2CCCCC2)C1
InChIInChI=1S/C16H31NO/c1-2-16(14-18)10-12-17(13-16)11-6-9-15-7-4-3-5-8-15/h15,18H,2-14H2,1H3
InChIKeyYICUZILJBRAETR-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclohexylpropyl)-3-ethylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-cyclohexylpropyl)-3-ethylpyrrolidin-3-yl]methanol (CID 123286887) is [1-(3-cyclohexylpropyl)-3-ethylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-cyclohexylpropyl)-3-ethylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-cyclohexylpropyl)-3-ethylpyrrolidin-3-yl]methanol is CCC1(CO)CCN(CCCC2CCCCC2)C1.
What is the InChIKey of [1-(3-cyclohexylpropyl)-3-ethylpyrrolidin-3-yl]methanol?
The InChIKey is YICUZILJBRAETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-16(14-18)10-12-17(13-16)11-6-9-15-7-4-3-5-8-15/h15,18H,2-14H2,1H3.
What are the key properties of [1-(3-cyclohexylpropyl)-3-ethylpyrrolidin-3-yl]methanol?
[1-(3-cyclohexylpropyl)-3-ethylpyrrolidin-3-yl]methanol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclohexylpropyl)-3-ethylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 123286887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).