(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol

C14H27NO2 — CID 79087480

IUPAC(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol
SMILESCC1CCC(C(O)C2CN(C)CCO2)CC1C
InChIInChI=1S/C14H27NO2/c1-10-4-5-12(8-11(10)2)14(16)13-9-15(3)6-7-17-13/h10-14,16H,4-9H2,1-3H3
InChIKeySPWLWQJXXKSWLC-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.75
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol

(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol (PubChem CID 79087480) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol
PubChem CID79087480
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol
SMILESCC1CCC(C(O)C2CN(C)CCO2)CC1C
InChIInChI=1S/C14H27NO2/c1-10-4-5-12(8-11(10)2)14(16)13-9-15(3)6-7-17-13/h10-14,16H,4-9H2,1-3H3
InChIKeySPWLWQJXXKSWLC-UHFFFAOYSA-N
XLogP1.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol?
The IUPAC name of (3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol (CID 79087480) is (3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol is CC1CCC(C(O)C2CN(C)CCO2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol?
The InChIKey is SPWLWQJXXKSWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10-4-5-12(8-11(10)2)14(16)13-9-15(3)6-7-17-13/h10-14,16H,4-9H2,1-3H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol?
(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol has a molecular weight of 241.37 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methanol is sourced from PubChem (CID 79087480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).