(2S,3R,4S)-2,4-dimethyloxan-3-amine

C7H15NO — CID 89372210

IUPAC(2S,3R,4S)-2,4-dimethyloxan-3-amine
SMILESC[C@@H]1OCC[C@H](C)[C@H]1N
InChIInChI=1S/C7H15NO/c1-5-3-4-9-6(2)7(5)8/h5-7H,3-4,8H2,1-2H3/t5-,6-,7+/m0/s1
InChIKeyHUGXXBNSILMORH-LYFYHCNISA-N
MW129.20 g/mol
LogP0.76
Rot. Bonds

About (2S,3R,4S)-2,4-dimethyloxan-3-amine

(2S,3R,4S)-2,4-dimethyloxan-3-amine (PubChem CID 89372210) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (2S,3R,4S)-2,4-dimethyloxan-3-amine.

Molecular Properties

Compound Name(2S,3R,4S)-2,4-dimethyloxan-3-amine
PubChem CID89372210
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(2S,3R,4S)-2,4-dimethyloxan-3-amine
SMILESC[C@@H]1OCC[C@H](C)[C@H]1N
InChIInChI=1S/C7H15NO/c1-5-3-4-9-6(2)7(5)8/h5-7H,3-4,8H2,1-2H3/t5-,6-,7+/m0/s1
InChIKeyHUGXXBNSILMORH-LYFYHCNISA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-2,4-dimethyloxan-3-amine?
The IUPAC name of (2S,3R,4S)-2,4-dimethyloxan-3-amine (CID 89372210) is (2S,3R,4S)-2,4-dimethyloxan-3-amine.
What is the SMILES notation for (2S,3R,4S)-2,4-dimethyloxan-3-amine?
The canonical SMILES for (2S,3R,4S)-2,4-dimethyloxan-3-amine is C[C@@H]1OCC[C@H](C)[C@H]1N.
What is the InChIKey of (2S,3R,4S)-2,4-dimethyloxan-3-amine?
The InChIKey is HUGXXBNSILMORH-LYFYHCNISA-N. The full InChI is InChI=1S/C7H15NO/c1-5-3-4-9-6(2)7(5)8/h5-7H,3-4,8H2,1-2H3/t5-,6-,7+/m0/s1.
What are the key properties of (2S,3R,4S)-2,4-dimethyloxan-3-amine?
(2S,3R,4S)-2,4-dimethyloxan-3-amine has a molecular weight of 129.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-2,4-dimethyloxan-3-amine is sourced from PubChem (CID 89372210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).