2-[[(3Z,5E)-5-methyl-3-(methylamino)octa-1,3,5,7-tetraen-2-yl]amino]ethanol

C12H20N2O — CID 143325960

IUPAC2-[[(3Z,5E)-5-methyl-3-(methylamino)octa-1,3,5,7-tetraen-2-yl]amino]ethanol
SMILESC=C/C=C(C)/C=C(\NC)C(=C)NCCO
InChIInChI=1S/C12H20N2O/c1-5-6-10(2)9-12(13-4)11(3)14-7-8-15/h5-6,9,13-15H,1,3,7-8H2,2,4H3/b10-6+,12-9-
InChIKeyDKJZTFNDKPAXCM-CQJQESKGSA-N
MW208.30 g/mol
LogP1.32
Rot. Bonds7

About 2-[[(3Z,5E)-5-methyl-3-(methylamino)octa-1,3,5,7-tetraen-2-yl]amino]ethanol

2-[[(3Z,5E)-5-methyl-3-(methylamino)octa-1,3,5,7-tetraen-2-yl]amino]ethanol (PubChem CID 143325960) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[[(3Z,5E)-5-methyl-3-(methylamino)octa-1,3,5,7-tetraen-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(3Z,5E)-5-methyl-3-(methylamino)octa-1,3,5,7-tetraen-2-yl]amino]ethanol
PubChem CID143325960
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[[(3Z,5E)-5-methyl-3-(methylamino)octa-1,3,5,7-tetraen-2-yl]amino]ethanol
SMILESC=C/C=C(C)/C=C(\NC)C(=C)NCCO
InChIInChI=1S/C12H20N2O/c1-5-6-10(2)9-12(13-4)11(3)14-7-8-15/h5-6,9,13-15H,1,3,7-8H2,2,4H3/b10-6+,12-9-
InChIKeyDKJZTFNDKPAXCM-CQJQESKGSA-N
XLogP1.32
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3Z,5E)-5-methyl-3-(methylamino)octa-1,3,5,7-tetraen-2-yl]amino]ethanol?
The IUPAC name of 2-[[(3Z,5E)-5-methyl-3-(methylamino)octa-1,3,5,7-tetraen-2-yl]amino]ethanol (CID 143325960) is 2-[[(3Z,5E)-5-methyl-3-(methylamino)octa-1,3,5,7-tetraen-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[(3Z,5E)-5-methyl-3-(methylamino)octa-1,3,5,7-tetraen-2-yl]amino]ethanol?
The canonical SMILES for 2-[[(3Z,5E)-5-methyl-3-(methylamino)octa-1,3,5,7-tetraen-2-yl]amino]ethanol is C=C/C=C(C)/C=C(\NC)C(=C)NCCO.
What is the InChIKey of 2-[[(3Z,5E)-5-methyl-3-(methylamino)octa-1,3,5,7-tetraen-2-yl]amino]ethanol?
The InChIKey is DKJZTFNDKPAXCM-CQJQESKGSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-6-10(2)9-12(13-4)11(3)14-7-8-15/h5-6,9,13-15H,1,3,7-8H2,2,4H3/b10-6+,12-9-.
What are the key properties of 2-[[(3Z,5E)-5-methyl-3-(methylamino)octa-1,3,5,7-tetraen-2-yl]amino]ethanol?
2-[[(3Z,5E)-5-methyl-3-(methylamino)octa-1,3,5,7-tetraen-2-yl]amino]ethanol has a molecular weight of 208.30 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3Z,5E)-5-methyl-3-(methylamino)octa-1,3,5,7-tetraen-2-yl]amino]ethanol is sourced from PubChem (CID 143325960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).