methane;oxan-4-amine

C6H15NO — CID 54772278

IUPACmethane;oxan-4-amine
SMILESC.NC1CCOCC1
InChIInChI=1S/C5H11NO.CH4/c6-5-1-3-7-4-2-5;/h5H,1-4,6H2;1H4
InChIKeyCCRPAFDWJVOFGA-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.76
Rot. Bonds

About methane;oxan-4-amine

methane;oxan-4-amine (PubChem CID 54772278) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is methane;oxan-4-amine.

Molecular Properties

Compound Namemethane;oxan-4-amine
PubChem CID54772278
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Namemethane;oxan-4-amine
SMILESC.NC1CCOCC1
InChIInChI=1S/C5H11NO.CH4/c6-5-1-3-7-4-2-5;/h5H,1-4,6H2;1H4
InChIKeyCCRPAFDWJVOFGA-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;oxan-4-amine?
The IUPAC name of methane;oxan-4-amine (CID 54772278) is methane;oxan-4-amine.
What is the SMILES notation for methane;oxan-4-amine?
The canonical SMILES for methane;oxan-4-amine is C.NC1CCOCC1.
What is the InChIKey of methane;oxan-4-amine?
The InChIKey is CCRPAFDWJVOFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.CH4/c6-5-1-3-7-4-2-5;/h5H,1-4,6H2;1H4.
What are the key properties of methane;oxan-4-amine?
methane;oxan-4-amine has a molecular weight of 117.19 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 methane;oxan-4-amine is sourced from PubChem (CID 54772278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).