(3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine

C10H21NO — CID 143366374

IUPAC(3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine
SMILESCC1O[C@H](C)C[C@H](N(C)C)[C@H]1C
InChIInChI=1S/C10H21NO/c1-7-6-10(11(4)5)8(2)9(3)12-7/h7-10H,6H2,1-5H3/t7-,8+,9?,10+/m1/s1
InChIKeyCKNBXFPSBAADRJ-AJDMCEKOSA-N
MW171.28 g/mol
LogP1.75
Rot. Bonds1

About (3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine

(3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine (PubChem CID 143366374) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine.

Molecular Properties

Compound Name(3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine
PubChem CID143366374
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine
SMILESCC1O[C@H](C)C[C@H](N(C)C)[C@H]1C
InChIInChI=1S/C10H21NO/c1-7-6-10(11(4)5)8(2)9(3)12-7/h7-10H,6H2,1-5H3/t7-,8+,9?,10+/m1/s1
InChIKeyCKNBXFPSBAADRJ-AJDMCEKOSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-2,3,4,6-tetramethyloxane
CID 162125825
2,3,4,6-tetramethyloxane
CID 20816370
(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
CID 89217462
N,N,3-trimethyl-2,7,8-trioxabicyclo[4.2.0]octan-5-amine
CID 144781805
(3R,4S,6S)-6-(azidomethyl)-N,N,2,3-tetramethyloxan-4-amine
CID 134310466
[(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite
CID 134302754
(2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane
CID 145399800
2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal
CID 130820242
(2R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxane-3-carbaldehyde
CID 142966665
(3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine
CID 165025782
4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 67952449
(3S)-4-(dimethylamino)-6-methyloxan-3-ol
CID 89038501

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine?
The IUPAC name of (3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine (CID 143366374) is (3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine.
What is the SMILES notation for (3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine?
The canonical SMILES for (3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine is CC1O[C@H](C)C[C@H](N(C)C)[C@H]1C.
What is the InChIKey of (3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine?
The InChIKey is CKNBXFPSBAADRJ-AJDMCEKOSA-N. The full InChI is InChI=1S/C10H21NO/c1-7-6-10(11(4)5)8(2)9(3)12-7/h7-10H,6H2,1-5H3/t7-,8+,9?,10+/m1/s1.
What are the key properties of (3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine?
(3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine has a molecular weight of 171.28 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6R)-N,N,2,3,6-pentamethyloxan-4-amine is sourced from PubChem (CID 143366374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).