3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine

C13H28N2O — CID 104960024

IUPAC3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H28N2O/c1-5-6-14-7-11(2)8-15-9-12(3)16-13(4)10-15/h11-14H,5-10H2,1-4H3/t11?,12-,13+
InChIKeyBNDFHAVMEOIHMW-YHWZYXNKSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine (PubChem CID 104960024) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine
PubChem CID104960024
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H28N2O/c1-5-6-14-7-11(2)8-15-9-12(3)16-13(4)10-15/h11-14H,5-10H2,1-4H3/t11?,12-,13+
InChIKeyBNDFHAVMEOIHMW-YHWZYXNKSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-propyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114538952
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine
CID 53215720
N,N-dimethyl-1-[2-methyl-3-(propylamino)propyl]piperidin-4-amine
CID 55074418
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine
CID 55069148
3-(3-ethylpiperidin-1-yl)-2-methyl-N-propylpropan-1-amine
CID 62434338
N-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine
CID 104958375
1-(2,6-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 78971493
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068847
N-[[5-[(2,6-dimethylmorpholin-4-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55070310
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethyl]propan-1-amine
CID 104958381
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]pentan-2-amine
CID 104961127
1-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)ethanone
CID 60687539

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine (CID 104960024) is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine is CCCNCC(C)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine?
The InChIKey is BNDFHAVMEOIHMW-YHWZYXNKSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-6-14-7-11(2)8-15-9-12(3)16-13(4)10-15/h11-14H,5-10H2,1-4H3/t11?,12-,13+.
What are the key properties of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine?
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 104960024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).