(Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine

C11H23NO2 — CID 155228105

IUPAC(Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine
SMILESCOC(C)/C=C(/CCN)CC(C)OC
InChIInChI=1S/C11H23NO2/c1-9(13-3)7-11(5-6-12)8-10(2)14-4/h7,9-10H,5-6,8,12H2,1-4H3/b11-7-
InChIKeyHUTLCWSHTOWFHQ-XFFZJAGNSA-N
MW201.31 g/mol
LogP1.72
Rot. Bonds7

About (Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine

(Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine (PubChem CID 155228105) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine.

Molecular Properties

Compound Name(Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine
PubChem CID155228105
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine
SMILESCOC(C)/C=C(/CCN)CC(C)OC
InChIInChI=1S/C11H23NO2/c1-9(13-3)7-11(5-6-12)8-10(2)14-4/h7,9-10H,5-6,8,12H2,1-4H3/b11-7-
InChIKeyHUTLCWSHTOWFHQ-XFFZJAGNSA-N
XLogP1.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-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 (Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine?
The IUPAC name of (Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine (CID 155228105) is (Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine.
What is the SMILES notation for (Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine?
The canonical SMILES for (Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine is COC(C)/C=C(/CCN)CC(C)OC.
What is the InChIKey of (Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine?
The InChIKey is HUTLCWSHTOWFHQ-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(13-3)7-11(5-6-12)8-10(2)14-4/h7,9-10H,5-6,8,12H2,1-4H3/b11-7-.
What are the key properties of (Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine?
(Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine is sourced from PubChem (CID 155228105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).