(3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol

C9H15NO — CID 89381343

IUPAC(3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol
SMILESC=C/C(O)=C\C=C(/C)CCN
InChIInChI=1S/C9H15NO/c1-3-9(11)5-4-8(2)6-7-10/h3-5,11H,1,6-7,10H2,2H3/b8-4+,9-5+
InChIKeyKEFOSBNAVAZQSM-KBXRYBNXSA-N
MW153.22 g/mol
LogP1.91
Rot. Bonds4

About (3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol

(3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol (PubChem CID 89381343) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol.

Molecular Properties

Compound Name(3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol
PubChem CID89381343
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol
SMILESC=C/C(O)=C\C=C(/C)CCN
InChIInChI=1S/C9H15NO/c1-3-9(11)5-4-8(2)6-7-10/h3-5,11H,1,6-7,10H2,2H3/b8-4+,9-5+
InChIKeyKEFOSBNAVAZQSM-KBXRYBNXSA-N
XLogP1.91
TPSA46.25 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 ≤ 51.91
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)-8-amino-6-methylocta-1,3,5-trien-3-ol?
The IUPAC name of (3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol (CID 89381343) is (3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol.
What is the SMILES notation for (3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol?
The canonical SMILES for (3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol is C=C/C(O)=C\C=C(/C)CCN.
What is the InChIKey of (3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol?
The InChIKey is KEFOSBNAVAZQSM-KBXRYBNXSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-9(11)5-4-8(2)6-7-10/h3-5,11H,1,6-7,10H2,2H3/b8-4+,9-5+.
What are the key properties of (3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol?
(3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol has a molecular weight of 153.22 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol is sourced from PubChem (CID 89381343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).