cyclohexyl(pyrrolidin-2-yl)methanol;ethane

C13H27NO — CID 142116174

IUPACcyclohexyl(pyrrolidin-2-yl)methanol;ethane
SMILESCC.OC(C1CCCCC1)C1CCCN1
InChIInChI=1S/C11H21NO.C2H6/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9;1-2/h9-13H,1-8H2;1-2H3
InChIKeySKKGQTHERACBML-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds2

About cyclohexyl(pyrrolidin-2-yl)methanol;ethane

cyclohexyl(pyrrolidin-2-yl)methanol;ethane (PubChem CID 142116174) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is cyclohexyl(pyrrolidin-2-yl)methanol;ethane.

Molecular Properties

Compound Namecyclohexyl(pyrrolidin-2-yl)methanol;ethane
PubChem CID142116174
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Namecyclohexyl(pyrrolidin-2-yl)methanol;ethane
SMILESCC.OC(C1CCCCC1)C1CCCN1
InChIInChI=1S/C11H21NO.C2H6/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9;1-2/h9-13H,1-8H2;1-2H3
InChIKeySKKGQTHERACBML-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopentyl-[(2S)-pyrrolidin-2-yl]methanol
CID 138485478
(S)-cyclohexyl-[(2S)-piperidin-2-yl]methanol
CID 102268028
cyclopentyl(pyrrolidin-2-yl)methanol;2-pyrrolidin-2-ylpropan-2-ol
CID 142507489
ethane;2-propan-2-ylpiperidine
CID 154671868
(2R)-2-propan-2-ylazepane
CID 7048221
(1R)-2,2-dimethyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 92979517
2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
CID 164661994
2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol
CID 138712862
(2S)-2-propan-2-ylpiperidine
CID 7022854
[cyclohexyl(piperidin-2-yl)methyl] acetate;ethane
CID 155732233
cyclooctyl(cyclopropyl)methanol
CID 80603317
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(pyrrolidin-2-yl)methanol;ethane?
The IUPAC name of cyclohexyl(pyrrolidin-2-yl)methanol;ethane (CID 142116174) is cyclohexyl(pyrrolidin-2-yl)methanol;ethane.
What is the SMILES notation for cyclohexyl(pyrrolidin-2-yl)methanol;ethane?
The canonical SMILES for cyclohexyl(pyrrolidin-2-yl)methanol;ethane is CC.OC(C1CCCCC1)C1CCCN1.
What is the InChIKey of cyclohexyl(pyrrolidin-2-yl)methanol;ethane?
The InChIKey is SKKGQTHERACBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C2H6/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9;1-2/h9-13H,1-8H2;1-2H3.
What are the key properties of cyclohexyl(pyrrolidin-2-yl)methanol;ethane?
cyclohexyl(pyrrolidin-2-yl)methanol;ethane has a molecular weight of 213.36 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(pyrrolidin-2-yl)methanol;ethane is sourced from PubChem (CID 142116174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).