1-(oxan-4-yl)pent-4-en-2-amine

C10H19NO — CID 116660340

IUPAC1-(oxan-4-yl)pent-4-en-2-amine
SMILESC=CCC(N)CC1CCOCC1
InChIInChI=1S/C10H19NO/c1-2-3-10(11)8-9-4-6-12-7-5-9/h2,9-10H,1,3-8,11H2
InChIKeyXGZIPUPBFMFPIQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.71
Rot. Bonds4

About 1-(oxan-4-yl)pent-4-en-2-amine

1-(oxan-4-yl)pent-4-en-2-amine (PubChem CID 116660340) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(oxan-4-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)pent-4-en-2-amine
PubChem CID116660340
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(oxan-4-yl)pent-4-en-2-amine
SMILESC=CCC(N)CC1CCOCC1
InChIInChI=1S/C10H19NO/c1-2-3-10(11)8-9-4-6-12-7-5-9/h2,9-10H,1,3-8,11H2
InChIKeyXGZIPUPBFMFPIQ-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 1-(oxan-4-yl)pent-4-en-2-amine?
The IUPAC name of 1-(oxan-4-yl)pent-4-en-2-amine (CID 116660340) is 1-(oxan-4-yl)pent-4-en-2-amine.
What is the SMILES notation for 1-(oxan-4-yl)pent-4-en-2-amine?
The canonical SMILES for 1-(oxan-4-yl)pent-4-en-2-amine is C=CCC(N)CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)pent-4-en-2-amine?
The InChIKey is XGZIPUPBFMFPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-10(11)8-9-4-6-12-7-5-9/h2,9-10H,1,3-8,11H2.
What are the key properties of 1-(oxan-4-yl)pent-4-en-2-amine?
1-(oxan-4-yl)pent-4-en-2-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 1-(oxan-4-yl)pent-4-en-2-amine is sourced from PubChem (CID 116660340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).