(2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol

C7H13NO — CID 129092981

IUPAC(2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol
SMILESC/C=C(N)\C=C(/C)CO
InChIInChI=1S/C7H13NO/c1-3-7(8)4-6(2)5-9/h3-4,9H,5,8H2,1-2H3/b6-4+,7-3+
InChIKeyDOMQYJBJGGTWJB-DVFLZCIWSA-N
MW127.19 g/mol
LogP0.79
Rot. Bonds2

About (2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol

(2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol (PubChem CID 129092981) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol
PubChem CID129092981
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol
SMILESC/C=C(N)\C=C(/C)CO
InChIInChI=1S/C7H13NO/c1-3-7(8)4-6(2)5-9/h3-4,9H,5,8H2,1-2H3/b6-4+,7-3+
InChIKeyDOMQYJBJGGTWJB-DVFLZCIWSA-N
XLogP0.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.79
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 (2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol (CID 129092981) is (2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol is C/C=C(N)\C=C(/C)CO.
What is the InChIKey of (2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol?
The InChIKey is DOMQYJBJGGTWJB-DVFLZCIWSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-7(8)4-6(2)5-9/h3-4,9H,5,8H2,1-2H3/b6-4+,7-3+.
What are the key properties of (2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol?
(2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-amino-2-methylhexa-2,4-dien-1-ol is sourced from PubChem (CID 129092981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).