2,2-dimethyl-6-(2-methylpropyl)-5-propan-2-ylmorpholine

C13H27NO — CID 114868494

IUPAC2,2-dimethyl-6-(2-methylpropyl)-5-propan-2-ylmorpholine
SMILESCC(C)CC1OC(C)(C)CNC1C(C)C
InChIInChI=1S/C13H27NO/c1-9(2)7-11-12(10(3)4)14-8-13(5,6)15-11/h9-12,14H,7-8H2,1-6H3
InChIKeyKRIHNQORCIAHDP-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.82
Rot. Bonds3

About 2,2-dimethyl-6-(2-methylpropyl)-5-propan-2-ylmorpholine

2,2-dimethyl-6-(2-methylpropyl)-5-propan-2-ylmorpholine (PubChem CID 114868494) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylpropyl)-5-propan-2-ylmorpholine.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-methylpropyl)-5-propan-2-ylmorpholine
PubChem CID114868494
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2,2-dimethyl-6-(2-methylpropyl)-5-propan-2-ylmorpholine
SMILESCC(C)CC1OC(C)(C)CNC1C(C)C
InChIInChI=1S/C13H27NO/c1-9(2)7-11-12(10(3)4)14-8-13(5,6)15-11/h9-12,14H,7-8H2,1-6H3
InChIKeyKRIHNQORCIAHDP-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methylpropyl)-5-propan-2-ylmorpholine?
The IUPAC name of 2,2-dimethyl-6-(2-methylpropyl)-5-propan-2-ylmorpholine (CID 114868494) is 2,2-dimethyl-6-(2-methylpropyl)-5-propan-2-ylmorpholine.
What is the SMILES notation for 2,2-dimethyl-6-(2-methylpropyl)-5-propan-2-ylmorpholine?
The canonical SMILES for 2,2-dimethyl-6-(2-methylpropyl)-5-propan-2-ylmorpholine is CC(C)CC1OC(C)(C)CNC1C(C)C.
What is the InChIKey of 2,2-dimethyl-6-(2-methylpropyl)-5-propan-2-ylmorpholine?
The InChIKey is KRIHNQORCIAHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-9(2)7-11-12(10(3)4)14-8-13(5,6)15-11/h9-12,14H,7-8H2,1-6H3.
What are the key properties of 2,2-dimethyl-6-(2-methylpropyl)-5-propan-2-ylmorpholine?
2,2-dimethyl-6-(2-methylpropyl)-5-propan-2-ylmorpholine has a molecular weight of 213.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-methylpropyl)-5-propan-2-ylmorpholine is sourced from PubChem (CID 114868494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).