(S)-2-cyclopentylpropan-2-yloxy-(dicyclohexylamino)methanol

C21H39NO2 — CID 89484312

IUPAC(S)-2-cyclopentylpropan-2-yloxy-(dicyclohexylamino)methanol
SMILESCC(C)(O[C@H](O)N(C1CCCCC1)C1CCCCC1)C1CCCC1
InChIInChI=1S/C21H39NO2/c1-21(2,17-11-9-10-12-17)24-20(23)22(18-13-5-3-6-14-18)19-15-7-4-8-16-19/h17-20,23H,3-16H2,1-2H3/t20-/m0/s1
InChIKeyBRIFXPWOYDGZRE-FQEVSTJZSA-N
MW337.55 g/mol
LogP5.22
Rot. Bonds6

About (S)-2-cyclopentylpropan-2-yloxy-(dicyclohexylamino)methanol

(S)-2-cyclopentylpropan-2-yloxy-(dicyclohexylamino)methanol (PubChem CID 89484312) has the molecular formula C21H39NO2 and a molecular weight of 337.55 g/mol. Its IUPAC name is (S)-2-cyclopentylpropan-2-yloxy-(dicyclohexylamino)methanol.

Molecular Properties

Compound Name(S)-2-cyclopentylpropan-2-yloxy-(dicyclohexylamino)methanol
PubChem CID89484312
Molecular FormulaC21H39NO2
Molecular Weight337.55 g/mol
Exact Mass337.30
IUPAC Name(S)-2-cyclopentylpropan-2-yloxy-(dicyclohexylamino)methanol
SMILESCC(C)(O[C@H](O)N(C1CCCCC1)C1CCCCC1)C1CCCC1
InChIInChI=1S/C21H39NO2/c1-21(2,17-11-9-10-12-17)24-20(23)22(18-13-5-3-6-14-18)19-15-7-4-8-16-19/h17-20,23H,3-16H2,1-2H3/t20-/m0/s1
InChIKeyBRIFXPWOYDGZRE-FQEVSTJZSA-N
XLogP5.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.55
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(dicyclohexylamino)-(2-methylbutan-2-yloxy)methanol
CID 144690494
2-propan-2-ylperoxypropan-2-ylcyclohexane
CID 54182101
2-cyclohexylpropan-2-yloxy-[3-(3,3-dimethylbutan-2-yl)phenyl]methanol
CID 123491092
2-cyclononadecylpropan-2-ol
CID 126587376
1-cyclooctylethane-1,1-diol
CID 22410754
2,3-dicyclohexylbutane-2,3-diol
CID 50741678
2-cyclooctylpropan-2-ol
CID 27966
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
2-cyclohexylpropan-2-yl hydroxy carbonate
CID 23207841
4-cycloheptyl-4-methylpentan-2-ol
CID 82923694
N-tert-butyl-N-cycloheptylhydroxylamine
CID 121217843
3-(2-cyclohexylpropan-2-yloxy)-2-methyl-3-oxopropanoic acid
CID 170442794

Frequently Asked Questions

What is the IUPAC name of (S)-2-cyclopentylpropan-2-yloxy-(dicyclohexylamino)methanol?
The IUPAC name of (S)-2-cyclopentylpropan-2-yloxy-(dicyclohexylamino)methanol (CID 89484312) is (S)-2-cyclopentylpropan-2-yloxy-(dicyclohexylamino)methanol.
What is the SMILES notation for (S)-2-cyclopentylpropan-2-yloxy-(dicyclohexylamino)methanol?
The canonical SMILES for (S)-2-cyclopentylpropan-2-yloxy-(dicyclohexylamino)methanol is CC(C)(O[C@H](O)N(C1CCCCC1)C1CCCCC1)C1CCCC1.
What is the InChIKey of (S)-2-cyclopentylpropan-2-yloxy-(dicyclohexylamino)methanol?
The InChIKey is BRIFXPWOYDGZRE-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H39NO2/c1-21(2,17-11-9-10-12-17)24-20(23)22(18-13-5-3-6-14-18)19-15-7-4-8-16-19/h17-20,23H,3-16H2,1-2H3/t20-/m0/s1.
What are the key properties of (S)-2-cyclopentylpropan-2-yloxy-(dicyclohexylamino)methanol?
(S)-2-cyclopentylpropan-2-yloxy-(dicyclohexylamino)methanol has a molecular weight of 337.55 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-cyclopentylpropan-2-yloxy-(dicyclohexylamino)methanol is sourced from PubChem (CID 89484312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).