3-methylideneoxan-4-amine

C6H11NO — CID 77421571

IUPAC3-methylideneoxan-4-amine
SMILESC=C1COCCC1N
InChIInChI=1S/C6H11NO/c1-5-4-8-3-2-6(5)7/h6H,1-4,7H2
InChIKeyPHCXCYIZFFYYAD-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.29
Rot. Bonds

About 3-methylideneoxan-4-amine

3-methylideneoxan-4-amine (PubChem CID 77421571) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-methylideneoxan-4-amine.

Molecular Properties

Compound Name3-methylideneoxan-4-amine
PubChem CID77421571
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-methylideneoxan-4-amine
SMILESC=C1COCCC1N
InChIInChI=1S/C6H11NO/c1-5-4-8-3-2-6(5)7/h6H,1-4,7H2
InChIKeyPHCXCYIZFFYYAD-UHFFFAOYSA-N
XLogP0.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylideneoxan-4-amine?
The IUPAC name of 3-methylideneoxan-4-amine (CID 77421571) is 3-methylideneoxan-4-amine.
What is the SMILES notation for 3-methylideneoxan-4-amine?
The canonical SMILES for 3-methylideneoxan-4-amine is C=C1COCCC1N.
What is the InChIKey of 3-methylideneoxan-4-amine?
The InChIKey is PHCXCYIZFFYYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-4-8-3-2-6(5)7/h6H,1-4,7H2.
What are the key properties of 3-methylideneoxan-4-amine?
3-methylideneoxan-4-amine has a molecular weight of 113.16 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylideneoxan-4-amine is sourced from PubChem (CID 77421571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).