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

C14H30N2O — CID 94382986

IUPAC3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(C)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H30N2O/c1-11(2)15-9-14(5,6)10-16-7-12(3)17-13(4)8-16/h11-13,15H,7-10H2,1-6H3/t12-,13+
InChIKeyNPWLRIHHRUEMFC-BETUJISGSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds5

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

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine (PubChem CID 94382986) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
PubChem CID94382986
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(C)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H30N2O/c1-11(2)15-9-14(5,6)10-16-7-12(3)17-13(4)8-16/h11-13,15H,7-10H2,1-6H3/t12-,13+
InChIKeyNPWLRIHHRUEMFC-BETUJISGSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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

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Related Compounds

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 104960598
(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
[6-methyl-4-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]morpholin-2-yl]methanol
CID 102936400
4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol
CID 66452172
1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
CID 62263335
[4-[2,2-dimethyl-3-(propan-2-ylamino)propyl]morpholin-2-yl]methanol
CID 81213628
2,2-dimethyl-N-propan-2-yl-3-thiomorpholin-4-ylpropan-1-amine
CID 62263437
1-(2,6-dimethylmorpholin-4-yl)-N-ethyl-2-methylpropan-2-amine
CID 62835400
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 104960621
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 55051900
3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 63159907

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine (CID 94382986) is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine is CC(C)NCC(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-propan-2-ylpropan-1-amine?
The InChIKey is NPWLRIHHRUEMFC-BETUJISGSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(2)15-9-14(5,6)10-16-7-12(3)17-13(4)8-16/h11-13,15H,7-10H2,1-6H3/t12-,13+.
What are the key properties of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine?
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,2-dimethyl-N-propan-2-ylpropan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 5 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-propan-2-ylpropan-1-amine is sourced from PubChem (CID 94382986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).