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

C7H15NO — CID 66733532

IUPAC(2R,6S)-2,6-dimethyloxan-4-amine
SMILESC[C@@H]1CC(N)C[C@H](C)O1
InChIInChI=1S/C7H15NO/c1-5-3-7(8)4-6(2)9-5/h5-7H,3-4,8H2,1-2H3/t5-,6+,7?
InChIKeyKFHJTIAGNFALSH-MEKDEQNOSA-N
MW129.20 g/mol
LogP0.90
Rot. Bonds

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

(2R,6S)-2,6-dimethyloxan-4-amine (PubChem CID 66733532) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyloxan-4-amine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyloxan-4-amine
PubChem CID66733532
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(2R,6S)-2,6-dimethyloxan-4-amine
SMILESC[C@@H]1CC(N)C[C@H](C)O1
InChIInChI=1S/C7H15NO/c1-5-3-7(8)4-6(2)9-5/h5-7H,3-4,8H2,1-2H3/t5-,6+,7?
InChIKeyKFHJTIAGNFALSH-MEKDEQNOSA-N
XLogP0.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyloxan-4-amine?
The IUPAC name of (2R,6S)-2,6-dimethyloxan-4-amine (CID 66733532) is (2R,6S)-2,6-dimethyloxan-4-amine.
What is the SMILES notation for (2R,6S)-2,6-dimethyloxan-4-amine?
The canonical SMILES for (2R,6S)-2,6-dimethyloxan-4-amine is C[C@@H]1CC(N)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyloxan-4-amine?
The InChIKey is KFHJTIAGNFALSH-MEKDEQNOSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-3-7(8)4-6(2)9-5/h5-7H,3-4,8H2,1-2H3/t5-,6+,7?.
What are the key properties of (2R,6S)-2,6-dimethyloxan-4-amine?
(2R,6S)-2,6-dimethyloxan-4-amine has a molecular weight of 129.20 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyloxan-4-amine is sourced from PubChem (CID 66733532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).