4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol

C13H25NO2 — CID 115923407

IUPAC4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol
SMILESCC1CC(NC2COCC2O)CC(C)(C)C1
InChIInChI=1S/C13H25NO2/c1-9-4-10(6-13(2,3)5-9)14-11-7-16-8-12(11)15/h9-12,14-15H,4-8H2,1-3H3
InChIKeyOYDWVBIQTMIGOY-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.55
Rot. Bonds2

About 4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol

4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol (PubChem CID 115923407) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol
PubChem CID115923407
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol
SMILESCC1CC(NC2COCC2O)CC(C)(C)C1
InChIInChI=1S/C13H25NO2/c1-9-4-10(6-13(2,3)5-9)14-11-7-16-8-12(11)15/h9-12,14-15H,4-8H2,1-3H3
InChIKeyOYDWVBIQTMIGOY-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methylcyclohexyl)amino]oxolan-3-ol
CID 60900459
N-(2,2-dimethylcyclopropyl)-3,3,5-trimethylcyclohexan-1-amine
CID 61222833
N-(3,3,5-trimethylcyclohexyl)cycloheptanamine
CID 43081420
N-cyclohexyl-3,3,5-trimethylcyclohexan-1-amine
CID 43080538
4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine
CID 62314944
(3S,4R)-4-[(1,5-dimethylpyrrolidin-3-yl)amino]oxolan-3-ol
CID 130751540
tert-butyl N-[2-[(3,3,5-trimethylcyclohexyl)amino]cyclopropyl]carbamate
CID 107237944
4-(azetidin-3-ylamino)oxolan-3-ol
CID 126856880
(3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol
CID 126846702
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]acetamide
CID 67074228
N-(3,3,5-trimethylcyclohexyl)tricyclo[3.2.1.02,4]octan-3-amine
CID 114095713
(2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol
CID 103884021

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol?
The IUPAC name of 4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol (CID 115923407) is 4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol.
What is the SMILES notation for 4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol?
The canonical SMILES for 4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol is CC1CC(NC2COCC2O)CC(C)(C)C1.
What is the InChIKey of 4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol?
The InChIKey is OYDWVBIQTMIGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9-4-10(6-13(2,3)5-9)14-11-7-16-8-12(11)15/h9-12,14-15H,4-8H2,1-3H3.
What are the key properties of 4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol?
4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol has a molecular weight of 227.35 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3,5-trimethylcyclohexyl)amino]oxolan-3-ol is sourced from PubChem (CID 115923407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).