(3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine

C13H27NO3 — CID 165025782

IUPAC(3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine
SMILESCO[C@H]1C(OC(C)(C)C)O[C@H](C)C[C@@H]1N(C)C
InChIInChI=1S/C13H27NO3/c1-9-8-10(14(5)6)11(15-7)12(16-9)17-13(2,3)4/h9-12H,8H2,1-7H3/t9-,10+,11-,12?/m1/s1
InChIKeyLVYQANKKNZPAOH-FBTJUVTCSA-N
MW245.36 g/mol
LogP1.88
Rot. Bonds3

About (3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine

(3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine (PubChem CID 165025782) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is (3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine.

Molecular Properties

Compound Name(3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine
PubChem CID165025782
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name(3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine
SMILESCO[C@H]1C(OC(C)(C)C)O[C@H](C)C[C@@H]1N(C)C
InChIInChI=1S/C13H27NO3/c1-9-8-10(14(5)6)11(15-7)12(16-9)17-13(2,3)4/h9-12H,8H2,1-7H3/t9-,10+,11-,12?/m1/s1
InChIKeyLVYQANKKNZPAOH-FBTJUVTCSA-N
XLogP1.88
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine with MolForge

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Related Compounds

4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 67952449
(2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane
CID 145399800
[(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate
CID 145284278
[(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite
CID 134302754
(3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine
CID 143366374
(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
CID 89217462
(2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol
CID 10866852
N,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine
CID 144781805
4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol
CID 167098136
tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid
CID 118638510
(6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol
CID 67068127
ethane;2-methoxy-N,N,6-trimethyloxan-4-amine
CID 143454744

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine?
The IUPAC name of (3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine (CID 165025782) is (3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine.
What is the SMILES notation for (3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine?
The canonical SMILES for (3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine is CO[C@H]1C(OC(C)(C)C)O[C@H](C)C[C@@H]1N(C)C.
What is the InChIKey of (3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine?
The InChIKey is LVYQANKKNZPAOH-FBTJUVTCSA-N. The full InChI is InChI=1S/C13H27NO3/c1-9-8-10(14(5)6)11(15-7)12(16-9)17-13(2,3)4/h9-12H,8H2,1-7H3/t9-,10+,11-,12?/m1/s1.
What are the key properties of (3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine?
(3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine has a molecular weight of 245.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine is sourced from PubChem (CID 165025782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).