(2E,5E)-6-amino-2-methylocta-2,5,7-trien-1-ol

C9H15NO — CID 126717721

IUPAC(2E,5E)-6-amino-2-methylocta-2,5,7-trien-1-ol
SMILESC=C/C(N)=C\C/C=C(\C)CO
InChIInChI=1S/C9H15NO/c1-3-9(10)6-4-5-8(2)7-11/h3,5-6,11H,1,4,7,10H2,2H3/b8-5+,9-6+
InChIKeyMNCRAFPMKVEHJZ-XVYDYJIPSA-N
MW153.22 g/mol
LogP1.34
Rot. Bonds4

About (2E,5E)-6-amino-2-methylocta-2,5,7-trien-1-ol

(2E,5E)-6-amino-2-methylocta-2,5,7-trien-1-ol (PubChem CID 126717721) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2E,5E)-6-amino-2-methylocta-2,5,7-trien-1-ol.

Molecular Properties

Compound Name(2E,5E)-6-amino-2-methylocta-2,5,7-trien-1-ol
PubChem CID126717721
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2E,5E)-6-amino-2-methylocta-2,5,7-trien-1-ol
SMILESC=C/C(N)=C\C/C=C(\C)CO
InChIInChI=1S/C9H15NO/c1-3-9(10)6-4-5-8(2)7-11/h3,5-6,11H,1,4,7,10H2,2H3/b8-5+,9-6+
InChIKeyMNCRAFPMKVEHJZ-XVYDYJIPSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,5E)-6-amino-2-methylocta-2,5,7-trien-1-ol?
The IUPAC name of (2E,5E)-6-amino-2-methylocta-2,5,7-trien-1-ol (CID 126717721) is (2E,5E)-6-amino-2-methylocta-2,5,7-trien-1-ol.
What is the SMILES notation for (2E,5E)-6-amino-2-methylocta-2,5,7-trien-1-ol?
The canonical SMILES for (2E,5E)-6-amino-2-methylocta-2,5,7-trien-1-ol is C=C/C(N)=C\C/C=C(\C)CO.
What is the InChIKey of (2E,5E)-6-amino-2-methylocta-2,5,7-trien-1-ol?
The InChIKey is MNCRAFPMKVEHJZ-XVYDYJIPSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-9(10)6-4-5-8(2)7-11/h3,5-6,11H,1,4,7,10H2,2H3/b8-5+,9-6+.
What are the key properties of (2E,5E)-6-amino-2-methylocta-2,5,7-trien-1-ol?
(2E,5E)-6-amino-2-methylocta-2,5,7-trien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-6-amino-2-methylocta-2,5,7-trien-1-ol is sourced from PubChem (CID 126717721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).