(3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol

C9H15NO — CID 90295812

IUPAC(3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol
SMILESC=C/C=C(\C=C\C(C)O)NC
InChIInChI=1S/C9H15NO/c1-4-5-9(10-3)7-6-8(2)11/h4-8,10-11H,1H2,2-3H3/b7-6+,9-5+
InChIKeyBSBCCDNHOQUWRO-CQCRHSALSA-N
MW153.22 g/mol
LogP1.21
Rot. Bonds4

About (3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol

(3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol (PubChem CID 90295812) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol.

Molecular Properties

Compound Name(3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol
PubChem CID90295812
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol
SMILESC=C/C=C(\C=C\C(C)O)NC
InChIInChI=1S/C9H15NO/c1-4-5-9(10-3)7-6-8(2)11/h4-8,10-11H,1H2,2-3H3/b7-6+,9-5+
InChIKeyBSBCCDNHOQUWRO-CQCRHSALSA-N
XLogP1.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol?
The IUPAC name of (3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol (CID 90295812) is (3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol.
What is the SMILES notation for (3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol?
The canonical SMILES for (3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol is C=C/C=C(\C=C\C(C)O)NC.
What is the InChIKey of (3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol?
The InChIKey is BSBCCDNHOQUWRO-CQCRHSALSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-5-9(10-3)7-6-8(2)11/h4-8,10-11H,1H2,2-3H3/b7-6+,9-5+.
What are the key properties of (3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol?
(3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol has a molecular weight of 153.22 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5-(methylamino)octa-3,5,7-trien-2-ol is sourced from PubChem (CID 90295812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).