[(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine

C8H17NO — CID 163867395

IUPAC[(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine
SMILESC[C@@H]1CC[C@@H](C)[C@@H](CN)O1
InChIInChI=1S/C8H17NO/c1-6-3-4-7(2)10-8(6)5-9/h6-8H,3-5,9H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyPHUVQUAXPAMOPC-BWZBUEFSSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds1

About [(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine

[(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine (PubChem CID 163867395) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is [(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine
PubChem CID163867395
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name[(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine
SMILESC[C@@H]1CC[C@@H](C)[C@@H](CN)O1
InChIInChI=1S/C8H17NO/c1-6-3-4-7(2)10-8(6)5-9/h6-8H,3-5,9H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyPHUVQUAXPAMOPC-BWZBUEFSSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine?
The IUPAC name of [(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine (CID 163867395) is [(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine.
What is the SMILES notation for [(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine?
The canonical SMILES for [(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine is C[C@@H]1CC[C@@H](C)[C@@H](CN)O1.
What is the InChIKey of [(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine?
The InChIKey is PHUVQUAXPAMOPC-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H17NO/c1-6-3-4-7(2)10-8(6)5-9/h6-8H,3-5,9H2,1-2H3/t6-,7-,8-/m1/s1.
What are the key properties of [(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine?
[(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine has a molecular weight of 143.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,6R)-3,6-dimethyloxan-2-yl]methanamine is sourced from PubChem (CID 163867395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).