[2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol

C14H27NO2 — CID 106359775

IUPAC[2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol
SMILESCC1(C)CC(NC2CCCCC2CO)CCO1
InChIInChI=1S/C14H27NO2/c1-14(2)9-12(7-8-17-14)15-13-6-4-3-5-11(13)10-16/h11-13,15-16H,3-10H2,1-2H3
InChIKeyKLEBJHOBLZCKJJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.08
Rot. Bonds3

About [2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol

[2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol (PubChem CID 106359775) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is [2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol
PubChem CID106359775
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name[2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol
SMILESCC1(C)CC(NC2CCCCC2CO)CCO1
InChIInChI=1S/C14H27NO2/c1-14(2)9-12(7-8-17-14)15-13-6-4-3-5-11(13)10-16/h11-13,15-16H,3-10H2,1-2H3
InChIKeyKLEBJHOBLZCKJJ-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol (CID 106359775) is [2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol is CC1(C)CC(NC2CCCCC2CO)CCO1.
What is the InChIKey of [2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol?
The InChIKey is KLEBJHOBLZCKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2)9-12(7-8-17-14)15-13-6-4-3-5-11(13)10-16/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of [2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol?
[2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol has a molecular weight of 241.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 106359775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).