1-(oxolan-2-yl)hex-5-en-1-amine

C10H19NO — CID 65330919

IUPAC1-(oxolan-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1CCCO1
InChIInChI=1S/C10H19NO/c1-2-3-4-6-9(11)10-7-5-8-12-10/h2,9-10H,1,3-8,11H2
InChIKeyXATSSTXCUWMHHL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds5

About 1-(oxolan-2-yl)hex-5-en-1-amine

1-(oxolan-2-yl)hex-5-en-1-amine (PubChem CID 65330919) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(oxolan-2-yl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)hex-5-en-1-amine
PubChem CID65330919
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(oxolan-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1CCCO1
InChIInChI=1S/C10H19NO/c1-2-3-4-6-9(11)10-7-5-8-12-10/h2,9-10H,1,3-8,11H2
InChIKeyXATSSTXCUWMHHL-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)hex-5-en-1-amine?
The IUPAC name of 1-(oxolan-2-yl)hex-5-en-1-amine (CID 65330919) is 1-(oxolan-2-yl)hex-5-en-1-amine.
What is the SMILES notation for 1-(oxolan-2-yl)hex-5-en-1-amine?
The canonical SMILES for 1-(oxolan-2-yl)hex-5-en-1-amine is C=CCCCC(N)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)hex-5-en-1-amine?
The InChIKey is XATSSTXCUWMHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-4-6-9(11)10-7-5-8-12-10/h2,9-10H,1,3-8,11H2.
What are the key properties of 1-(oxolan-2-yl)hex-5-en-1-amine?
1-(oxolan-2-yl)hex-5-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)hex-5-en-1-amine is sourced from PubChem (CID 65330919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).