6-ethenyl-6-propyloxan-3-amine

C10H19NO — CID 144500196

IUPAC6-ethenyl-6-propyloxan-3-amine
SMILESC=CC1(CCC)CCC(N)CO1
InChIInChI=1S/C10H19NO/c1-3-6-10(4-2)7-5-9(11)8-12-10/h4,9H,2-3,5-8,11H2,1H3
InChIKeyQFXPAFFDOMPZMR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds3

About 6-ethenyl-6-propyloxan-3-amine

6-ethenyl-6-propyloxan-3-amine (PubChem CID 144500196) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 6-ethenyl-6-propyloxan-3-amine.

Molecular Properties

Compound Name6-ethenyl-6-propyloxan-3-amine
PubChem CID144500196
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name6-ethenyl-6-propyloxan-3-amine
SMILESC=CC1(CCC)CCC(N)CO1
InChIInChI=1S/C10H19NO/c1-3-6-10(4-2)7-5-9(11)8-12-10/h4,9H,2-3,5-8,11H2,1H3
InChIKeyQFXPAFFDOMPZMR-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
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 6-ethenyl-6-propyloxan-3-amine?
The IUPAC name of 6-ethenyl-6-propyloxan-3-amine (CID 144500196) is 6-ethenyl-6-propyloxan-3-amine.
What is the SMILES notation for 6-ethenyl-6-propyloxan-3-amine?
The canonical SMILES for 6-ethenyl-6-propyloxan-3-amine is C=CC1(CCC)CCC(N)CO1.
What is the InChIKey of 6-ethenyl-6-propyloxan-3-amine?
The InChIKey is QFXPAFFDOMPZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-6-10(4-2)7-5-9(11)8-12-10/h4,9H,2-3,5-8,11H2,1H3.
What are the key properties of 6-ethenyl-6-propyloxan-3-amine?
6-ethenyl-6-propyloxan-3-amine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-6-propyloxan-3-amine is sourced from PubChem (CID 144500196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).