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

C15H29NO2 — CID 142188309

IUPACethane;1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol
SMILESC=C/C=C\C(=C)CCCNCC(O)COC.CC
InChIInChI=1S/C13H23NO2.C2H6/c1-4-5-7-12(2)8-6-9-14-10-13(15)11-16-3;1-2/h4-5,7,13-15H,1-2,6,8-11H2,3H3;1-2H3/b7-5-;
InChIKeyWAQSDHMRYDHQKE-YJOCEBFMSA-N
MW255.40 g/mol
LogP2.69
Rot. Bonds10

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

ethane;1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol (PubChem CID 142188309) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethane;1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol.

Molecular Properties

Compound Nameethane;1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol
PubChem CID142188309
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethane;1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol
SMILESC=C/C=C\C(=C)CCCNCC(O)COC.CC
InChIInChI=1S/C13H23NO2.C2H6/c1-4-5-7-12(2)8-6-9-14-10-13(15)11-16-3;1-2/h4-5,7,13-15H,1-2,6,8-11H2,3H3;1-2H3/b7-5-;
InChIKeyWAQSDHMRYDHQKE-YJOCEBFMSA-N
XLogP2.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.69
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'}

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Related Compounds

1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol
CID 142188310
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 ethane;1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol?
The IUPAC name of ethane;1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol (CID 142188309) is ethane;1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol.
What is the SMILES notation for ethane;1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol?
The canonical SMILES for ethane;1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol is C=C/C=C\C(=C)CCCNCC(O)COC.CC.
What is the InChIKey of ethane;1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol?
The InChIKey is WAQSDHMRYDHQKE-YJOCEBFMSA-N. The full InChI is InChI=1S/C13H23NO2.C2H6/c1-4-5-7-12(2)8-6-9-14-10-13(15)11-16-3;1-2/h4-5,7,13-15H,1-2,6,8-11H2,3H3;1-2H3/b7-5-;.
What are the key properties of ethane;1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol?
ethane;1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol has a molecular weight of 255.40 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol is sourced from PubChem (CID 142188309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).