[(2S,5R)-5-methyloxan-2-yl]methanamine

C7H15NO — CID 139026482

IUPAC[(2S,5R)-5-methyloxan-2-yl]methanamine
SMILESC[C@@H]1CC[C@@H](CN)OC1
InChIInChI=1S/C7H15NO/c1-6-2-3-7(4-8)9-5-6/h6-7H,2-5,8H2,1H3/t6-,7+/m1/s1
InChIKeyNRJPFXUAJVLEFG-RQJHMYQMSA-N
MW129.20 g/mol
LogP0.76
Rot. Bonds1

About [(2S,5R)-5-methyloxan-2-yl]methanamine

[(2S,5R)-5-methyloxan-2-yl]methanamine (PubChem CID 139026482) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is [(2S,5R)-5-methyloxan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,5R)-5-methyloxan-2-yl]methanamine
PubChem CID139026482
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name[(2S,5R)-5-methyloxan-2-yl]methanamine
SMILESC[C@@H]1CC[C@@H](CN)OC1
InChIInChI=1S/C7H15NO/c1-6-2-3-7(4-8)9-5-6/h6-7H,2-5,8H2,1H3/t6-,7+/m1/s1
InChIKeyNRJPFXUAJVLEFG-RQJHMYQMSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

(Tetrahydro-2H-pyran-2-ylmethyl)amine
CID 97924
(2-Methyloxan-2-yl)methanamine
CID 80212914
(2,6-Dimethyloxan-4-yl)methanamine
CID 81852973
(6-Methyloxan-2-yl)methanamine
CID 122164231
(3,3-Dimethyloxan-2-yl)methanamine hydrochloride
CID 138027444
[(2R)-tetrahydropyran-2-yl]methanamine
CID 40507939
2-(2-Methyloxan-4-yl)ethan-1-amine
CID 64137442
(2-Methyloxan-4-yl)methanamine hydrochloride
CID 71757940
(5,5-Dimethyloxan-2-yl)methanamine hydrochloride
CID 126818463
(6,6-Dimethyloxan-2-yl)methanamine
CID 130172828
rac-[(2R,5S)-5-methyloxan-2-yl]methanamine hydrochloride
CID 139026481
(S)-(tetrahydro-2H-pyran-2-yl)methanamine
CID 38989155

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-methyloxan-2-yl]methanamine?
The IUPAC name of [(2S,5R)-5-methyloxan-2-yl]methanamine (CID 139026482) is [(2S,5R)-5-methyloxan-2-yl]methanamine.
What is the SMILES notation for [(2S,5R)-5-methyloxan-2-yl]methanamine?
The canonical SMILES for [(2S,5R)-5-methyloxan-2-yl]methanamine is C[C@@H]1CC[C@@H](CN)OC1.
What is the InChIKey of [(2S,5R)-5-methyloxan-2-yl]methanamine?
The InChIKey is NRJPFXUAJVLEFG-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-2-3-7(4-8)9-5-6/h6-7H,2-5,8H2,1H3/t6-,7+/m1/s1.
What are the key properties of [(2S,5R)-5-methyloxan-2-yl]methanamine?
[(2S,5R)-5-methyloxan-2-yl]methanamine has a molecular weight of 129.20 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-methyloxan-2-yl]methanamine is sourced from PubChem (CID 139026482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).