2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine

C17H36N2O — CID 104960621

IUPAC2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H36N2O/c1-7-8-17(6,12-18-9-14(2)3)13-19-10-15(4)20-16(5)11-19/h14-16,18H,7-13H2,1-6H3/t15-,16+,17?
InChIKeyXOGAXZLYJKFMMZ-SJPCQFCGSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds8

About 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine

2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 104960621) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID104960621
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H36N2O/c1-7-8-17(6,12-18-9-14(2)3)13-19-10-15(4)20-16(5)11-19/h14-16,18H,7-13H2,1-6H3/t15-,16+,17?
InChIKeyXOGAXZLYJKFMMZ-SJPCQFCGSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine
CID 66369812
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 104960598
2-methyl-N-(2-methylpropyl)-2-(piperidin-1-ylmethyl)pentan-1-amine
CID 62264125
2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine
CID 62262511
2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 103539012
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 55051900
2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 62264057
[6-methyl-4-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]morpholin-2-yl]methanol
CID 102936400
2-methyl-N-(2-methylpropyl)-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-1-amine
CID 114596717
1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol
CID 106674168
N-ethyl-2-methyl-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pentan-1-amine
CID 62259780
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 94382986

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine (CID 104960621) is 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine is CCCC(C)(CNCC(C)C)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is XOGAXZLYJKFMMZ-SJPCQFCGSA-N. The full InChI is InChI=1S/C17H36N2O/c1-7-8-17(6,12-18-9-14(2)3)13-19-10-15(4)20-16(5)11-19/h14-16,18H,7-13H2,1-6H3/t15-,16+,17?.
What are the key properties of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 104960621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).