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

C13H28N2O — CID 104959123

IUPAC1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4,4-dimethylpentan-3-amine
SMILESC[C@@H]1CN(CCC(N)C(C)(C)C)C[C@H](C)O1
InChIInChI=1S/C13H28N2O/c1-10-8-15(9-11(2)16-10)7-6-12(14)13(3,4)5/h10-12H,6-9,14H2,1-5H3/t10-,11+,12?
InChIKeyKEZFUYLSRZOWHE-FOSCPWQOSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds3

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

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4,4-dimethylpentan-3-amine (PubChem CID 104959123) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4,4-dimethylpentan-3-amine
PubChem CID104959123
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4,4-dimethylpentan-3-amine
SMILESC[C@@H]1CN(CCC(N)C(C)(C)C)C[C@H](C)O1
InChIInChI=1S/C13H28N2O/c1-10-8-15(9-11(2)16-10)7-6-12(14)13(3,4)5/h10-12H,6-9,14H2,1-5H3/t10-,11+,12?
InChIKeyKEZFUYLSRZOWHE-FOSCPWQOSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butan-2-ol
CID 104961406
(2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine
CID 130522014
ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104960242
2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 47811029
(2R,6S)-4-(2-chloroethyl)-2,6-dimethylmorpholine
CID 53215608
(2R,6S)-4-(2,2-dimethylpropyl)-2,6-dimethylmorpholine
CID 148863425
(2S,6R)-4-(2-iodoethyl)-2,6-dimethylmorpholine
CID 131154609
(2R)-3,3-dimethyl-1-(2-methylmorpholin-4-yl)butan-2-amine
CID 130522025
(2R,6S)-4-(5-chloro-3-methylpentyl)-2,6-dimethylmorpholine
CID 104960003
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylpropan-2-amine
CID 60851499
4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine
CID 65015766
methyl 4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoate
CID 63029150

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4,4-dimethylpentan-3-amine (CID 104959123) is 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4,4-dimethylpentan-3-amine is C[C@@H]1CN(CCC(N)C(C)(C)C)C[C@H](C)O1.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4,4-dimethylpentan-3-amine?
The InChIKey is KEZFUYLSRZOWHE-FOSCPWQOSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10-8-15(9-11(2)16-10)7-6-12(14)13(3,4)5/h10-12H,6-9,14H2,1-5H3/t10-,11+,12?.
What are the key properties of 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4,4-dimethylpentan-3-amine?
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4,4-dimethylpentan-3-amine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 104959123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).