3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine

C13H28N2O — CID 81011282

IUPAC3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)C(C)N1CCOC(C)(C)C1
InChIInChI=1S/C13H28N2O/c1-6-14-9-11(2)12(3)15-7-8-16-13(4,5)10-15/h11-12,14H,6-10H2,1-5H3
InChIKeyHCNRIXDQOQBRLY-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds5

About 3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine

3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine (PubChem CID 81011282) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine
PubChem CID81011282
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)C(C)N1CCOC(C)(C)C1
InChIInChI=1S/C13H28N2O/c1-6-14-9-11(2)12(3)15-7-8-16-13(4,5)10-15/h11-12,14H,6-10H2,1-5H3
InChIKeyHCNRIXDQOQBRLY-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 3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine (CID 81011282) is 3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine is CCNCC(C)C(C)N1CCOC(C)(C)C1.
What is the InChIKey of 3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine?
The InChIKey is HCNRIXDQOQBRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-14-9-11(2)12(3)15-7-8-16-13(4,5)10-15/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine?
3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-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 3-(2,2-dimethylmorpholin-4-yl)-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 81011282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).