5-methyloxan-3-amine

C6H13NO — CID 20600660

IUPAC5-methyloxan-3-amine
SMILESCC1COCC(N)C1
InChIInChI=1S/C6H13NO/c1-5-2-6(7)4-8-3-5/h5-6H,2-4,7H2,1H3
InChIKeyYTATVXUMCHBYTH-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.37
Rot. Bonds

About 5-methyloxan-3-amine

5-methyloxan-3-amine (PubChem CID 20600660) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 5-methyloxan-3-amine.

Molecular Properties

Compound Name5-methyloxan-3-amine
PubChem CID20600660
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name5-methyloxan-3-amine
SMILESCC1COCC(N)C1
InChIInChI=1S/C6H13NO/c1-5-2-6(7)4-8-3-5/h5-6H,2-4,7H2,1H3
InChIKeyYTATVXUMCHBYTH-UHFFFAOYSA-N
XLogP0.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyloxan-3-amine?
The IUPAC name of 5-methyloxan-3-amine (CID 20600660) is 5-methyloxan-3-amine.
What is the SMILES notation for 5-methyloxan-3-amine?
The canonical SMILES for 5-methyloxan-3-amine is CC1COCC(N)C1.
What is the InChIKey of 5-methyloxan-3-amine?
The InChIKey is YTATVXUMCHBYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-2-6(7)4-8-3-5/h5-6H,2-4,7H2,1H3.
What are the key properties of 5-methyloxan-3-amine?
5-methyloxan-3-amine has a molecular weight of 115.18 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloxan-3-amine is sourced from PubChem (CID 20600660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).