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

C8H13NO — CID 143756870

IUPAC(2E,4Z)-6-(methylamino)hepta-2,4,6-trien-3-ol
SMILESC=C(/C=C\C(O)=C/C)NC
InChIInChI=1S/C8H13NO/c1-4-8(10)6-5-7(2)9-3/h4-6,9-10H,2H2,1,3H3/b6-5-,8-4+
InChIKeyGTHQOXSUCPNUAM-QNMAEOQASA-N
MW139.20 g/mol
LogP1.74
Rot. Bonds3

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

(2E,4Z)-6-(methylamino)hepta-2,4,6-trien-3-ol (PubChem CID 143756870) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2E,4Z)-6-(methylamino)hepta-2,4,6-trien-3-ol.

Molecular Properties

Compound Name(2E,4Z)-6-(methylamino)hepta-2,4,6-trien-3-ol
PubChem CID143756870
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2E,4Z)-6-(methylamino)hepta-2,4,6-trien-3-ol
SMILESC=C(/C=C\C(O)=C/C)NC
InChIInChI=1S/C8H13NO/c1-4-8(10)6-5-7(2)9-3/h4-6,9-10H,2H2,1,3H3/b6-5-,8-4+
InChIKeyGTHQOXSUCPNUAM-QNMAEOQASA-N
XLogP1.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.74
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

6-Methyl-1,2-dihydropyridin-5-ol
CID 68023623
(2E,4E)-5-aminohepta-2,4,6-trien-3-ol
CID 88891478
(3E,5E)-5-(methylamino)hepta-1,3,5-trien-4-ol
CID 89029375
(3Z)-3-(methylamino)penta-1,3-dien-2-ol
CID 89219015
(2Z,4E,6E)-6-aminoocta-2,4,6-trien-4-ol
CID 89336217
(3E,5Z)-2-(prop-1-en-2-ylamino)hepta-1,3,5-trien-3-ol
CID 89339499
(3E)-4-(ethenylamino)penta-1,3-dien-2-ol
CID 126583734
(3Z)-5-(2-aminoethylamino)hexa-1,3,5-trien-2-ol
CID 129055640
(2Z)-3-(methylamino)penta-2,4-dien-2-ol
CID 132134110
(2E,4E)-5-(methylamino)hexa-2,4-dien-2-ol
CID 132134167
(3Z)-5-(methylamino)hexa-1,3,5-trien-2-ol
CID 132158475
(3E,5Z)-4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]octa-1,3,5,7-tetraen-2-ol
CID 134365980

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-(methylamino)hepta-2,4,6-trien-3-ol?
The IUPAC name of (2E,4Z)-6-(methylamino)hepta-2,4,6-trien-3-ol (CID 143756870) is (2E,4Z)-6-(methylamino)hepta-2,4,6-trien-3-ol.
What is the SMILES notation for (2E,4Z)-6-(methylamino)hepta-2,4,6-trien-3-ol?
The canonical SMILES for (2E,4Z)-6-(methylamino)hepta-2,4,6-trien-3-ol is C=C(/C=C\C(O)=C/C)NC.
What is the InChIKey of (2E,4Z)-6-(methylamino)hepta-2,4,6-trien-3-ol?
The InChIKey is GTHQOXSUCPNUAM-QNMAEOQASA-N. The full InChI is InChI=1S/C8H13NO/c1-4-8(10)6-5-7(2)9-3/h4-6,9-10H,2H2,1,3H3/b6-5-,8-4+.
What are the key properties of (2E,4Z)-6-(methylamino)hepta-2,4,6-trien-3-ol?
(2E,4Z)-6-(methylamino)hepta-2,4,6-trien-3-ol has a molecular weight of 139.20 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-(methylamino)hepta-2,4,6-trien-3-ol is sourced from PubChem (CID 143756870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).