3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine

C15H32N2O — CID 104960598

IUPAC3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(C)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H32N2O/c1-12(2)7-16-10-15(5,6)11-17-8-13(3)18-14(4)9-17/h12-14,16H,7-11H2,1-6H3/t13-,14+
InChIKeyRDTYNQWOODESAJ-OKILXGFUSA-N
MW256.43 g/mol
LogP2.37
Rot. Bonds6

About 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 104960598) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
PubChem CID104960598
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(C)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H32N2O/c1-12(2)7-16-10-15(5,6)11-17-8-13(3)18-14(4)9-17/h12-14,16H,7-11H2,1-6H3/t13-,14+
InChIKeyRDTYNQWOODESAJ-OKILXGFUSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine with MolForge

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Related Compounds

2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 104960621
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 94382986
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-methylpropyl)propan-1-amine
CID 62263553
2,2-dimethyl-N-(2-methylpropyl)-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 62974441
(2R,6S)-4-(2,2-dimethylpropyl)-2,6-dimethylmorpholine
CID 148863425
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine
CID 104960616
4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol
CID 66452172
3-(2,2-dimethylmorpholin-4-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62256849
[4-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-5-methylmorpholin-2-yl]methanol
CID 81212705
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 55051900
2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine
CID 66369812
1-(2,6-dimethylmorpholin-4-yl)-N-ethyl-2-methylpropan-2-amine
CID 62835400

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (CID 104960598) is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(C)(C)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is RDTYNQWOODESAJ-OKILXGFUSA-N. The full InChI is InChI=1S/C15H32N2O/c1-12(2)7-16-10-15(5,6)11-17-8-13(3)18-14(4)9-17/h12-14,16H,7-11H2,1-6H3/t13-,14+.
What are the key properties of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 104960598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).