4-(2,2-dimethylmorpholin-4-yl)-2,3,3-trimethylbutan-2-amine

C13H28N2O — CID 65267178

IUPAC4-(2,2-dimethylmorpholin-4-yl)-2,3,3-trimethylbutan-2-amine
SMILESCC1(C)CN(CC(C)(C)C(C)(C)N)CCO1
InChIInChI=1S/C13H28N2O/c1-11(2,13(5,6)14)9-15-7-8-16-12(3,4)10-15/h7-10,14H2,1-6H3
InChIKeyQIHXSXKFUBXHFQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds3

About 4-(2,2-dimethylmorpholin-4-yl)-2,3,3-trimethylbutan-2-amine

4-(2,2-dimethylmorpholin-4-yl)-2,3,3-trimethylbutan-2-amine (PubChem CID 65267178) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholin-4-yl)-2,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholin-4-yl)-2,3,3-trimethylbutan-2-amine
PubChem CID65267178
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-(2,2-dimethylmorpholin-4-yl)-2,3,3-trimethylbutan-2-amine
SMILESCC1(C)CN(CC(C)(C)C(C)(C)N)CCO1
InChIInChI=1S/C13H28N2O/c1-11(2,13(5,6)14)9-15-7-8-16-12(3,4)10-15/h7-10,14H2,1-6H3
InChIKeyQIHXSXKFUBXHFQ-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-2,3,3-trimethylbutan-2-amine?
The IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-2,3,3-trimethylbutan-2-amine (CID 65267178) is 4-(2,2-dimethylmorpholin-4-yl)-2,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 4-(2,2-dimethylmorpholin-4-yl)-2,3,3-trimethylbutan-2-amine?
The canonical SMILES for 4-(2,2-dimethylmorpholin-4-yl)-2,3,3-trimethylbutan-2-amine is CC1(C)CN(CC(C)(C)C(C)(C)N)CCO1.
What is the InChIKey of 4-(2,2-dimethylmorpholin-4-yl)-2,3,3-trimethylbutan-2-amine?
The InChIKey is QIHXSXKFUBXHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2,13(5,6)14)9-15-7-8-16-12(3,4)10-15/h7-10,14H2,1-6H3.
What are the key properties of 4-(2,2-dimethylmorpholin-4-yl)-2,3,3-trimethylbutan-2-amine?
4-(2,2-dimethylmorpholin-4-yl)-2,3,3-trimethylbutan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylmorpholin-4-yl)-2,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 65267178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).