(E)-6-(oxolan-2-yl)oct-5-en-3-amine

C12H23NO — CID 89074037

IUPAC(E)-6-(oxolan-2-yl)oct-5-en-3-amine
SMILESCC/C(=C\CC(N)CC)C1CCCO1
InChIInChI=1S/C12H23NO/c1-3-10(7-8-11(13)4-2)12-6-5-9-14-12/h7,11-12H,3-6,8-9,13H2,1-2H3/b10-7+
InChIKeyNLSYZOWVONKXNJ-JXMROGBWSA-N
MW197.32 g/mol
LogP2.63
Rot. Bonds5

About (E)-6-(oxolan-2-yl)oct-5-en-3-amine

(E)-6-(oxolan-2-yl)oct-5-en-3-amine (PubChem CID 89074037) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-6-(oxolan-2-yl)oct-5-en-3-amine.

Molecular Properties

Compound Name(E)-6-(oxolan-2-yl)oct-5-en-3-amine
PubChem CID89074037
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-6-(oxolan-2-yl)oct-5-en-3-amine
SMILESCC/C(=C\CC(N)CC)C1CCCO1
InChIInChI=1S/C12H23NO/c1-3-10(7-8-11(13)4-2)12-6-5-9-14-12/h7,11-12H,3-6,8-9,13H2,1-2H3/b10-7+
InChIKeyNLSYZOWVONKXNJ-JXMROGBWSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-6-(oxolan-2-yl)oct-5-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-6-(oxolan-2-yl)oct-5-en-3-amine?
The IUPAC name of (E)-6-(oxolan-2-yl)oct-5-en-3-amine (CID 89074037) is (E)-6-(oxolan-2-yl)oct-5-en-3-amine.
What is the SMILES notation for (E)-6-(oxolan-2-yl)oct-5-en-3-amine?
The canonical SMILES for (E)-6-(oxolan-2-yl)oct-5-en-3-amine is CC/C(=C\CC(N)CC)C1CCCO1.
What is the InChIKey of (E)-6-(oxolan-2-yl)oct-5-en-3-amine?
The InChIKey is NLSYZOWVONKXNJ-JXMROGBWSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-10(7-8-11(13)4-2)12-6-5-9-14-12/h7,11-12H,3-6,8-9,13H2,1-2H3/b10-7+.
What are the key properties of (E)-6-(oxolan-2-yl)oct-5-en-3-amine?
(E)-6-(oxolan-2-yl)oct-5-en-3-amine has a molecular weight of 197.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(oxolan-2-yl)oct-5-en-3-amine is sourced from PubChem (CID 89074037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).