4-[(E)-pent-2-en-2-yl]oxan-2-amine

C10H19NO — CID 134316224

IUPAC4-[(E)-pent-2-en-2-yl]oxan-2-amine
SMILESCC/C=C(\C)C1CCOC(N)C1
InChIInChI=1S/C10H19NO/c1-3-4-8(2)9-5-6-12-10(11)7-9/h4,9-10H,3,5-7,11H2,1-2H3/b8-4+
InChIKeyRMIZDJXIGQTOSK-XBXARRHUSA-N
MW169.27 g/mol
LogP2.05
Rot. Bonds2

About 4-[(E)-pent-2-en-2-yl]oxan-2-amine

4-[(E)-pent-2-en-2-yl]oxan-2-amine (PubChem CID 134316224) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-[(E)-pent-2-en-2-yl]oxan-2-amine.

Molecular Properties

Compound Name4-[(E)-pent-2-en-2-yl]oxan-2-amine
PubChem CID134316224
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-[(E)-pent-2-en-2-yl]oxan-2-amine
SMILESCC/C=C(\C)C1CCOC(N)C1
InChIInChI=1S/C10H19NO/c1-3-4-8(2)9-5-6-12-10(11)7-9/h4,9-10H,3,5-7,11H2,1-2H3/b8-4+
InChIKeyRMIZDJXIGQTOSK-XBXARRHUSA-N
XLogP2.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.05
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 4-[(E)-pent-2-en-2-yl]oxan-2-amine?
The IUPAC name of 4-[(E)-pent-2-en-2-yl]oxan-2-amine (CID 134316224) is 4-[(E)-pent-2-en-2-yl]oxan-2-amine.
What is the SMILES notation for 4-[(E)-pent-2-en-2-yl]oxan-2-amine?
The canonical SMILES for 4-[(E)-pent-2-en-2-yl]oxan-2-amine is CC/C=C(\C)C1CCOC(N)C1.
What is the InChIKey of 4-[(E)-pent-2-en-2-yl]oxan-2-amine?
The InChIKey is RMIZDJXIGQTOSK-XBXARRHUSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-8(2)9-5-6-12-10(11)7-9/h4,9-10H,3,5-7,11H2,1-2H3/b8-4+.
What are the key properties of 4-[(E)-pent-2-en-2-yl]oxan-2-amine?
4-[(E)-pent-2-en-2-yl]oxan-2-amine has a molecular weight of 169.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-pent-2-en-2-yl]oxan-2-amine is sourced from PubChem (CID 134316224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).