5-(oxan-4-yl)pent-3-en-1-amine

C10H19NO — CID 79593362

IUPAC5-(oxan-4-yl)pent-3-en-1-amine
SMILESNCCC=CCC1CCOCC1
InChIInChI=1S/C10H19NO/c11-7-3-1-2-4-10-5-8-12-9-6-10/h1-2,10H,3-9,11H2
InChIKeyNBZDSYOFTFMAAB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.71
Rot. Bonds4

About 5-(oxan-4-yl)pent-3-en-1-amine

5-(oxan-4-yl)pent-3-en-1-amine (PubChem CID 79593362) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-(oxan-4-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name5-(oxan-4-yl)pent-3-en-1-amine
PubChem CID79593362
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-(oxan-4-yl)pent-3-en-1-amine
SMILESNCCC=CCC1CCOCC1
InChIInChI=1S/C10H19NO/c11-7-3-1-2-4-10-5-8-12-9-6-10/h1-2,10H,3-9,11H2
InChIKeyNBZDSYOFTFMAAB-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.71
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 5-(oxan-4-yl)pent-3-en-1-amine?
The IUPAC name of 5-(oxan-4-yl)pent-3-en-1-amine (CID 79593362) is 5-(oxan-4-yl)pent-3-en-1-amine.
What is the SMILES notation for 5-(oxan-4-yl)pent-3-en-1-amine?
The canonical SMILES for 5-(oxan-4-yl)pent-3-en-1-amine is NCCC=CCC1CCOCC1.
What is the InChIKey of 5-(oxan-4-yl)pent-3-en-1-amine?
The InChIKey is NBZDSYOFTFMAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c11-7-3-1-2-4-10-5-8-12-9-6-10/h1-2,10H,3-9,11H2.
What are the key properties of 5-(oxan-4-yl)pent-3-en-1-amine?
5-(oxan-4-yl)pent-3-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)pent-3-en-1-amine is sourced from PubChem (CID 79593362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).