[(2R)-oxan-2-yl]methanamine

C6H13NO — CID 40507939

IUPAC[(2R)-oxan-2-yl]methanamine
SMILESNC[C@H]1CCCCO1
InChIInChI=1S/C6H13NO/c7-5-6-3-1-2-4-8-6/h6H,1-5,7H2/t6-/m1/s1
InChIKeyNYGCBQKDTGBHSC-ZCFIWIBFSA-N
MW115.18 g/mol
LogP0.51
Rot. Bonds1

About [(2R)-oxan-2-yl]methanamine

[(2R)-oxan-2-yl]methanamine (PubChem CID 40507939) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is [(2R)-oxan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-oxan-2-yl]methanamine
PubChem CID40507939
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name[(2R)-oxan-2-yl]methanamine
SMILESNC[C@H]1CCCCO1
InChIInChI=1S/C6H13NO/c7-5-6-3-1-2-4-8-6/h6H,1-5,7H2/t6-/m1/s1
InChIKeyNYGCBQKDTGBHSC-ZCFIWIBFSA-N
XLogP0.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-oxan-2-yl]methanamine?
The IUPAC name of [(2R)-oxan-2-yl]methanamine (CID 40507939) is [(2R)-oxan-2-yl]methanamine.
What is the SMILES notation for [(2R)-oxan-2-yl]methanamine?
The canonical SMILES for [(2R)-oxan-2-yl]methanamine is NC[C@H]1CCCCO1.
What is the InChIKey of [(2R)-oxan-2-yl]methanamine?
The InChIKey is NYGCBQKDTGBHSC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NO/c7-5-6-3-1-2-4-8-6/h6H,1-5,7H2/t6-/m1/s1.
What are the key properties of [(2R)-oxan-2-yl]methanamine?
[(2R)-oxan-2-yl]methanamine has a molecular weight of 115.18 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxan-2-yl]methanamine is sourced from PubChem (CID 40507939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).