(5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-amine

C11H19NO2 — CID 89153880

IUPAC(5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-amine
SMILESC=CCC(N)/C=C\COC1CCOC1
InChIInChI=1S/C11H19NO2/c1-2-4-10(12)5-3-7-14-11-6-8-13-9-11/h2-3,5,10-11H,1,4,6-9,12H2/b5-3-
InChIKeyAAIVPFJNUDXFQQ-HYXAFXHYSA-N
MW197.28 g/mol
LogP1.25
Rot. Bonds6

About (5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-amine

(5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-amine (PubChem CID 89153880) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-amine.

Molecular Properties

Compound Name(5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-amine
PubChem CID89153880
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-amine
SMILESC=CCC(N)/C=C\COC1CCOC1
InChIInChI=1S/C11H19NO2/c1-2-4-10(12)5-3-7-14-11-6-8-13-9-11/h2-3,5,10-11H,1,4,6-9,12H2/b5-3-
InChIKeyAAIVPFJNUDXFQQ-HYXAFXHYSA-N
XLogP1.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-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 (5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-amine?
The IUPAC name of (5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-amine (CID 89153880) is (5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-amine.
What is the SMILES notation for (5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-amine?
The canonical SMILES for (5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-amine is C=CCC(N)/C=C\COC1CCOC1.
What is the InChIKey of (5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-amine?
The InChIKey is AAIVPFJNUDXFQQ-HYXAFXHYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-4-10(12)5-3-7-14-11-6-8-13-9-11/h2-3,5,10-11H,1,4,6-9,12H2/b5-3-.
What are the key properties of (5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-amine?
(5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-amine has a molecular weight of 197.28 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-amine is sourced from PubChem (CID 89153880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).