(2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol

C9H15NO — CID 165146242

IUPAC(2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol
SMILESC=C(NC)/C(C)=C\C(O)=C/C
InChIInChI=1S/C9H15NO/c1-5-9(11)6-7(2)8(3)10-4/h5-6,10-11H,3H2,1-2,4H3/b7-6-,9-5+
InChIKeyPVWLQWWSMWFVKB-QRLJIZSYSA-N
MW153.22 g/mol
LogP2.13
Rot. Bonds3

About (2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol

(2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol (PubChem CID 165146242) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol.

Molecular Properties

Compound Name(2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol
PubChem CID165146242
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol
SMILESC=C(NC)/C(C)=C\C(O)=C/C
InChIInChI=1S/C9H15NO/c1-5-9(11)6-7(2)8(3)10-4/h5-6,10-11H,3H2,1-2,4H3/b7-6-,9-5+
InChIKeyPVWLQWWSMWFVKB-QRLJIZSYSA-N
XLogP2.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol
CID 142545660
1-(6-Methyl-1,2-dihydropyridin-3-yl)ethenol
CID 89985275
1H-cyclohepta[b]pyridin-9-ol
CID 141340000
(3Z,5E)-4-ethyl-2-methyl-6-(methylamino)octa-1,3,5-trien-3-ol
CID 141920029
(3E)-4-methyl-5-(methylamino)hexa-1,3,5-trien-2-ol
CID 141962410
(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol
CID 142269992
fluoromethane;(3E)-3-(fluoromethyl)-5-(methylamino)hexa-1,3,5-trien-2-ol
CID 142545659
(2E,4Z)-6-(methylamino)hepta-2,4,6-trien-3-ol
CID 143756870
(2E,4E)-5-(methylaminomethyl)hepta-2,4,6-trien-3-ol
CID 144403368
(3Z,5E)-6-amino-3-methyl-5-(methylamino)hepta-1,3,5-trien-2-ol
CID 146288848
(3Z,5Z)-3-(methylaminomethyl)octa-1,3,5,7-tetraen-4-ol
CID 155140279
(3Z)-4-[[(3Z)-4-amino-3-methylbuta-1,3-dien-2-yl]-methylamino]penta-1,3-dien-2-ol
CID 163374545

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol?
The IUPAC name of (2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol (CID 165146242) is (2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol.
What is the SMILES notation for (2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol?
The canonical SMILES for (2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol is C=C(NC)/C(C)=C\C(O)=C/C.
What is the InChIKey of (2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol?
The InChIKey is PVWLQWWSMWFVKB-QRLJIZSYSA-N. The full InChI is InChI=1S/C9H15NO/c1-5-9(11)6-7(2)8(3)10-4/h5-6,10-11H,3H2,1-2,4H3/b7-6-,9-5+.
What are the key properties of (2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol?
(2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol has a molecular weight of 153.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-methyl-6-(methylamino)hepta-2,4,6-trien-3-ol is sourced from PubChem (CID 165146242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).