1-(oxolan-3-yl)hex-5-en-1-amine

C10H19NO — CID 65330238

IUPAC1-(oxolan-3-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1CCOC1
InChIInChI=1S/C10H19NO/c1-2-3-4-5-10(11)9-6-7-12-8-9/h2,9-10H,1,3-8,11H2
InChIKeyBJPRTOHHDHDOSP-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.71
Rot. Bonds5

About 1-(oxolan-3-yl)hex-5-en-1-amine

1-(oxolan-3-yl)hex-5-en-1-amine (PubChem CID 65330238) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(oxolan-3-yl)hex-5-en-1-amine.

Molecular Properties

Compound Name1-(oxolan-3-yl)hex-5-en-1-amine
PubChem CID65330238
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(oxolan-3-yl)hex-5-en-1-amine
SMILESC=CCCCC(N)C1CCOC1
InChIInChI=1S/C10H19NO/c1-2-3-4-5-10(11)9-6-7-12-8-9/h2,9-10H,1,3-8,11H2
InChIKeyBJPRTOHHDHDOSP-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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-3-yl)hex-5-en-1-amine?
The IUPAC name of 1-(oxolan-3-yl)hex-5-en-1-amine (CID 65330238) is 1-(oxolan-3-yl)hex-5-en-1-amine.
What is the SMILES notation for 1-(oxolan-3-yl)hex-5-en-1-amine?
The canonical SMILES for 1-(oxolan-3-yl)hex-5-en-1-amine is C=CCCCC(N)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)hex-5-en-1-amine?
The InChIKey is BJPRTOHHDHDOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-4-5-10(11)9-6-7-12-8-9/h2,9-10H,1,3-8,11H2.
What are the key properties of 1-(oxolan-3-yl)hex-5-en-1-amine?
1-(oxolan-3-yl)hex-5-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)hex-5-en-1-amine is sourced from PubChem (CID 65330238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).