(2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-3-amine

C11H17NO2 — CID 89209488

IUPAC(2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(N)=C/C)OC1CCOC1
InChIInChI=1S/C11H17NO2/c1-3-10(12)5-4-9(2)14-11-6-7-13-8-11/h3-5,11H,2,6-8,12H2,1H3/b5-4-,10-3+
InChIKeyPHQOEEDTXGAKEN-MZTCIMCMSA-N
MW195.26 g/mol
LogP1.72
Rot. Bonds4

About (2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-3-amine

(2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-3-amine (PubChem CID 89209488) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-3-amine
PubChem CID89209488
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(N)=C/C)OC1CCOC1
InChIInChI=1S/C11H17NO2/c1-3-10(12)5-4-9(2)14-11-6-7-13-8-11/h3-5,11H,2,6-8,12H2,1H3/b5-4-,10-3+
InChIKeyPHQOEEDTXGAKEN-MZTCIMCMSA-N
XLogP1.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-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

Related Compounds

[(3R)-oxolan-3-yl] 3-methylbut-2-enoate
CID 130831266
[(3S)-oxolan-3-yl] (2S)-2-bromopropanoate
CID 11470107
oxolan-3-yl 2-amino-4-methylpentanoate
CID 63559458
[(3R)-oxolan-3-yl] hydrogen carbonate
CID 67122885
[(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate
CID 171836010
oxolan-3-yl 2-(hydroxymethyl)prop-2-enoate
CID 126699796
oxolan-3-yl N-ethyl-N-methylcarbamate
CID 91397459
oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate
CID 103927419
(1Z,3E)-1-N-(oxan-4-yl)penta-1,3-diene-1,3-diamine
CID 134566869
oxolan-3-yl 5-amino-2-methylpentanoate
CID 104686034
(3S)-3-[(3S)-oxolan-3-yl]oxyoxolane
CID 142760220
3-(oxolan-3-yloxy)oxolane
CID 57449306

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-3-amine (CID 89209488) is (2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-3-amine is C=C(/C=C\C(N)=C/C)OC1CCOC1.
What is the InChIKey of (2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-3-amine?
The InChIKey is PHQOEEDTXGAKEN-MZTCIMCMSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-10(12)5-4-9(2)14-11-6-7-13-8-11/h3-5,11H,2,6-8,12H2,1H3/b5-4-,10-3+.
What are the key properties of (2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-3-amine?
(2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-3-amine has a molecular weight of 195.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-(oxolan-3-yloxy)hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 89209488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).