2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine

C13H28N2O — CID 62259652

IUPAC2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CNC)CN1CCOCC1(C)C
InChIInChI=1S/C13H28N2O/c1-6-13(4,9-14-5)10-15-7-8-16-11-12(15,2)3/h14H,6-11H2,1-5H3
InChIKeyUTELFCAPUPWRJK-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds5

About 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine

2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine (PubChem CID 62259652) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine
PubChem CID62259652
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CNC)CN1CCOCC1(C)C
InChIInChI=1S/C13H28N2O/c1-6-13(4,9-14-5)10-15-7-8-16-11-12(15,2)3/h14H,6-11H2,1-5H3
InChIKeyUTELFCAPUPWRJK-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine (CID 62259652) is 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine is CCC(C)(CNC)CN1CCOCC1(C)C.
What is the InChIKey of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is UTELFCAPUPWRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-13(4,9-14-5)10-15-7-8-16-11-12(15,2)3/h14H,6-11H2,1-5H3.
What are the key properties of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine?
2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 62259652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).