4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol

C14H27NO2 — CID 81130499

IUPAC4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol
SMILESCC1CCC(NCC2(O)CCOCC2)CC1C
InChIInChI=1S/C14H27NO2/c1-11-3-4-13(9-12(11)2)15-10-14(16)5-7-17-8-6-14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyXQRHAFVDGYBJQY-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.94
Rot. Bonds3

About 4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol

4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol (PubChem CID 81130499) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol
PubChem CID81130499
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol
SMILESCC1CCC(NCC2(O)CCOCC2)CC1C
InChIInChI=1S/C14H27NO2/c1-11-3-4-13(9-12(11)2)15-10-14(16)5-7-17-8-6-14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyXQRHAFVDGYBJQY-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol (CID 81130499) is 4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol is CC1CCC(NCC2(O)CCOCC2)CC1C.
What is the InChIKey of 4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol?
The InChIKey is XQRHAFVDGYBJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11-3-4-13(9-12(11)2)15-10-14(16)5-7-17-8-6-14/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol?
4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol has a molecular weight of 241.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81130499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).