(3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol

C8H17NO2 — CID 14139769

IUPAC(3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol
SMILESC[C@@H]1C[C@H](N(C)C)[C@@H](O)CO1
InChIInChI=1S/C8H17NO2/c1-6-4-7(9(2)3)8(10)5-11-6/h6-8,10H,4-5H2,1-3H3/t6-,7+,8+/m1/s1
InChIKeyCHZKSVHNCFVFKO-CSMHCCOUSA-N
MW159.23 g/mol
LogP0.09
Rot. Bonds1

About (3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol

(3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol (PubChem CID 14139769) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol.

Molecular Properties

Compound Name(3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol
PubChem CID14139769
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol
SMILESC[C@@H]1C[C@H](N(C)C)[C@@H](O)CO1
InChIInChI=1S/C8H17NO2/c1-6-4-7(9(2)3)8(10)5-11-6/h6-8,10H,4-5H2,1-3H3/t6-,7+,8+/m1/s1
InChIKeyCHZKSVHNCFVFKO-CSMHCCOUSA-N
XLogP0.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol?
The IUPAC name of (3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol (CID 14139769) is (3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol.
What is the SMILES notation for (3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol?
The canonical SMILES for (3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol is C[C@@H]1C[C@H](N(C)C)[C@@H](O)CO1.
What is the InChIKey of (3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol?
The InChIKey is CHZKSVHNCFVFKO-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6-4-7(9(2)3)8(10)5-11-6/h6-8,10H,4-5H2,1-3H3/t6-,7+,8+/m1/s1.
What are the key properties of (3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol?
(3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol has a molecular weight of 159.23 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6R)-4-(dimethylamino)-6-methyloxan-3-ol is sourced from PubChem (CID 14139769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).