(3E,5E)-5-(methylamino)hepta-1,3,5-trien-4-ol

C8H13NO — CID 89029375

IUPAC(3E,5E)-5-(methylamino)hepta-1,3,5-trien-4-ol
SMILESC=C/C=C(O)\C(=C/C)NC
InChIInChI=1S/C8H13NO/c1-4-6-8(10)7(5-2)9-3/h4-6,9-10H,1H2,2-3H3/b7-5+,8-6+
InChIKeyMWANVEVSUHKARK-KQQUZDAGSA-N
MW139.20 g/mol
LogP1.74
Rot. Bonds3

About (3E,5E)-5-(methylamino)hepta-1,3,5-trien-4-ol

(3E,5E)-5-(methylamino)hepta-1,3,5-trien-4-ol (PubChem CID 89029375) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3E,5E)-5-(methylamino)hepta-1,3,5-trien-4-ol.

Molecular Properties

Compound Name(3E,5E)-5-(methylamino)hepta-1,3,5-trien-4-ol
PubChem CID89029375
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3E,5E)-5-(methylamino)hepta-1,3,5-trien-4-ol
SMILESC=C/C=C(O)\C(=C/C)NC
InChIInChI=1S/C8H13NO/c1-4-6-8(10)7(5-2)9-3/h4-6,9-10H,1H2,2-3H3/b7-5+,8-6+
InChIKeyMWANVEVSUHKARK-KQQUZDAGSA-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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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-5-(methylamino)hepta-1,3,5-trien-4-ol?
The IUPAC name of (3E,5E)-5-(methylamino)hepta-1,3,5-trien-4-ol (CID 89029375) is (3E,5E)-5-(methylamino)hepta-1,3,5-trien-4-ol.
What is the SMILES notation for (3E,5E)-5-(methylamino)hepta-1,3,5-trien-4-ol?
The canonical SMILES for (3E,5E)-5-(methylamino)hepta-1,3,5-trien-4-ol is C=C/C=C(O)\C(=C/C)NC.
What is the InChIKey of (3E,5E)-5-(methylamino)hepta-1,3,5-trien-4-ol?
The InChIKey is MWANVEVSUHKARK-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-6-8(10)7(5-2)9-3/h4-6,9-10H,1H2,2-3H3/b7-5+,8-6+.
What are the key properties of (3E,5E)-5-(methylamino)hepta-1,3,5-trien-4-ol?
(3E,5E)-5-(methylamino)hepta-1,3,5-trien-4-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 (3E,5E)-5-(methylamino)hepta-1,3,5-trien-4-ol is sourced from PubChem (CID 89029375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).