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

C14H30N2O — CID 62261199

IUPAC2-[(3,3-dimethylmorpholin-4-yl)methyl]-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)CN1CCOCC1(C)C
InChIInChI=1S/C14H30N2O/c1-6-14(7-2,10-15-5)11-16-8-9-17-12-13(16,3)4/h15H,6-12H2,1-5H3
InChIKeyAMQUBNFSVFOGGB-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds6

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

2-[(3,3-dimethylmorpholin-4-yl)methyl]-2-ethyl-N-methylbutan-1-amine (PubChem CID 62261199) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[(3,3-dimethylmorpholin-4-yl)methyl]-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(3,3-dimethylmorpholin-4-yl)methyl]-2-ethyl-N-methylbutan-1-amine
PubChem CID62261199
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-[(3,3-dimethylmorpholin-4-yl)methyl]-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)CN1CCOCC1(C)C
InChIInChI=1S/C14H30N2O/c1-6-14(7-2,10-15-5)11-16-8-9-17-12-13(16,3)4/h15H,6-12H2,1-5H3
InChIKeyAMQUBNFSVFOGGB-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
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]-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-2-ethyl-N-methylbutan-1-amine (CID 62261199) is 2-[(3,3-dimethylmorpholin-4-yl)methyl]-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 2-[(3,3-dimethylmorpholin-4-yl)methyl]-2-ethyl-N-methylbutan-1-amine is CCC(CC)(CNC)CN1CCOCC1(C)C.
What is the InChIKey of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-2-ethyl-N-methylbutan-1-amine?
The InChIKey is AMQUBNFSVFOGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-14(7-2,10-15-5)11-16-8-9-17-12-13(16,3)4/h15H,6-12H2,1-5H3.
What are the key properties of 2-[(3,3-dimethylmorpholin-4-yl)methyl]-2-ethyl-N-methylbutan-1-amine?
2-[(3,3-dimethylmorpholin-4-yl)methyl]-2-ethyl-N-methylbutan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 6 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]-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 62261199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).