(2R,3S,5R)-2,5-dimethyloxan-3-amine

C7H15NO — CID 129045857

IUPAC(2R,3S,5R)-2,5-dimethyloxan-3-amine
SMILESC[C@H]1CO[C@H](C)[C@@H](N)C1
InChIInChI=1S/C7H15NO/c1-5-3-7(8)6(2)9-4-5/h5-7H,3-4,8H2,1-2H3/t5-,6-,7+/m1/s1
InChIKeyARTKFXDMOICTDV-QYNIQEEDSA-N
MW129.20 g/mol
LogP0.76
Rot. Bonds

About (2R,3S,5R)-2,5-dimethyloxan-3-amine

(2R,3S,5R)-2,5-dimethyloxan-3-amine (PubChem CID 129045857) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (2R,3S,5R)-2,5-dimethyloxan-3-amine.

Molecular Properties

Compound Name(2R,3S,5R)-2,5-dimethyloxan-3-amine
PubChem CID129045857
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(2R,3S,5R)-2,5-dimethyloxan-3-amine
SMILESC[C@H]1CO[C@H](C)[C@@H](N)C1
InChIInChI=1S/C7H15NO/c1-5-3-7(8)6(2)9-4-5/h5-7H,3-4,8H2,1-2H3/t5-,6-,7+/m1/s1
InChIKeyARTKFXDMOICTDV-QYNIQEEDSA-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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Related Compounds

2,5-dimethyloxan-3-amine
CID 20600657
(2R,3S)-2-alumanyl-5-methyloxan-3-amine
CID 148890995
(2S)-2,3,5-trimethyloxane
CID 58758243
5-methyl-1,3-dioxan-2-amine
CID 154516283
(2R,5S)-2,5-dimethyl-N-phosphanyloxan-3-amine
CID 139394309
(2R,4R,5S)-5-amino-2-methyloxane-3,4-diol
CID 91820713
[(2R,4S)-4-methyloxolan-2-yl]methanamine
CID 124578103
4-methyloxolan-2-ol
CID 11007834
2-fluoro-4-methyloxolane
CID 57195800
3-(2,5-dimethyloxan-3-yl)-2,5-dimethyl-1,4-dioxane
CID 123954417
(2S,3S)-2,3-dimethyloxetane
CID 76764483
(1R,2S,4R)-2,4-dimethylcyclopentan-1-amine
CID 134253027

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2,5-dimethyloxan-3-amine?
The IUPAC name of (2R,3S,5R)-2,5-dimethyloxan-3-amine (CID 129045857) is (2R,3S,5R)-2,5-dimethyloxan-3-amine.
What is the SMILES notation for (2R,3S,5R)-2,5-dimethyloxan-3-amine?
The canonical SMILES for (2R,3S,5R)-2,5-dimethyloxan-3-amine is C[C@H]1CO[C@H](C)[C@@H](N)C1.
What is the InChIKey of (2R,3S,5R)-2,5-dimethyloxan-3-amine?
The InChIKey is ARTKFXDMOICTDV-QYNIQEEDSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-3-7(8)6(2)9-4-5/h5-7H,3-4,8H2,1-2H3/t5-,6-,7+/m1/s1.
What are the key properties of (2R,3S,5R)-2,5-dimethyloxan-3-amine?
(2R,3S,5R)-2,5-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 (2R,3S,5R)-2,5-dimethyloxan-3-amine is sourced from PubChem (CID 129045857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).