(2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine

C10H21NO2 — CID 83907092

IUPAC(2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine
SMILESCOCCC1(N)C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H21NO2/c1-8-6-10(11,4-5-12-3)7-9(2)13-8/h8-9H,4-7,11H2,1-3H3/t8-,9+,10?
InChIKeyCWGVRRVLYIJUIM-ULKQDVFKSA-N
MW187.28 g/mol
LogP1.31
Rot. Bonds3

About (2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine

(2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine (PubChem CID 83907092) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine.

Molecular Properties

Compound Name(2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine
PubChem CID83907092
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine
SMILESCOCCC1(N)C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H21NO2/c1-8-6-10(11,4-5-12-3)7-9(2)13-8/h8-9H,4-7,11H2,1-3H3/t8-,9+,10?
InChIKeyCWGVRRVLYIJUIM-ULKQDVFKSA-N
XLogP1.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine?
The IUPAC name of (2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine (CID 83907092) is (2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine.
What is the SMILES notation for (2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine?
The canonical SMILES for (2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine is COCCC1(N)C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine?
The InChIKey is CWGVRRVLYIJUIM-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8-6-10(11,4-5-12-3)7-9(2)13-8/h8-9H,4-7,11H2,1-3H3/t8-,9+,10?.
What are the key properties of (2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine?
(2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine has a molecular weight of 187.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine is sourced from PubChem (CID 83907092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).