1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol

C13H23NO2 — CID 142188310

IUPAC1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol
SMILESC=C/C=C\C(=C)CCCNCC(O)COC
InChIInChI=1S/C13H23NO2/c1-4-5-7-12(2)8-6-9-14-10-13(15)11-16-3/h4-5,7,13-15H,1-2,6,8-11H2,3H3/b7-5-
InChIKeyWCFXYVDUEBMXAX-ALCCZGGFSA-N
MW225.33 g/mol
LogP1.66
Rot. Bonds10

About 1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol

1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol (PubChem CID 142188310) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol
PubChem CID142188310
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol
SMILESC=C/C=C\C(=C)CCCNCC(O)COC
InChIInChI=1S/C13H23NO2/c1-4-5-7-12(2)8-6-9-14-10-13(15)11-16-3/h4-5,7,13-15H,1-2,6,8-11H2,3H3/b7-5-
InChIKeyWCFXYVDUEBMXAX-ALCCZGGFSA-N
XLogP1.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol 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

ethane;1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol
CID 142188309
Ethane;1-methoxy-3-(propan-2-ylamino)propan-2-ol;6-methylidene-7-prop-2-enylcyclohepta-1,4-diene
CID 142450342
Ethene;4-ethoxypiperidin-3-ol;hexa-1,3-diene
CID 143401982
1-[2-(Cyclohexen-1-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 55021478
1-[2-(Cyclohexen-1-yl)ethylamino]-3-(2-methylpropoxy)propan-2-ol
CID 55021504
[2-(Cyclohex-1-en-1-yl)ethyl][3-(2-ethoxyethoxy)-2-hydroxypropyl]amine
CID 60634286
1-[2-(Cyclohexen-1-yl)ethylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60634541
1-[2-(Cyclohexen-1-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60634630
1-(Cyclohex-3-en-1-ylmethylamino)-3-(2-methylpropoxy)propan-2-ol
CID 61529615
1-(Cyclohex-3-en-1-ylmethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 61948797
1-(Cyclohex-3-en-1-ylmethylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 61949976
1-(Cyclohex-3-en-1-ylmethylamino)-3-propan-2-yloxypropan-2-ol
CID 61950940

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol (CID 142188310) is 1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol is C=C/C=C\C(=C)CCCNCC(O)COC.
What is the InChIKey of 1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol?
The InChIKey is WCFXYVDUEBMXAX-ALCCZGGFSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-5-7-12(2)8-6-9-14-10-13(15)11-16-3/h4-5,7,13-15H,1-2,6,8-11H2,3H3/b7-5-.
What are the key properties of 1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol?
1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol has a molecular weight of 225.33 g/mol, XLogP of 1.66, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol is sourced from PubChem (CID 142188310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).