(2E,4E)-4-amino-6-methylhepta-2,4-dien-3-ol

C8H15NO — CID 142227262

IUPAC(2E,4E)-4-amino-6-methylhepta-2,4-dien-3-ol
SMILESC/C=C(O)\C(N)=C/C(C)C
InChIInChI=1S/C8H15NO/c1-4-8(10)7(9)5-6(2)3/h4-6,10H,9H2,1-3H3/b7-5+,8-4+
InChIKeyIWDVRIWLORTGLF-JBVHCYJISA-N
MW141.21 g/mol
LogP1.95
Rot. Bonds2

About (2E,4E)-4-amino-6-methylhepta-2,4-dien-3-ol

(2E,4E)-4-amino-6-methylhepta-2,4-dien-3-ol (PubChem CID 142227262) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2E,4E)-4-amino-6-methylhepta-2,4-dien-3-ol.

Molecular Properties

Compound Name(2E,4E)-4-amino-6-methylhepta-2,4-dien-3-ol
PubChem CID142227262
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2E,4E)-4-amino-6-methylhepta-2,4-dien-3-ol
SMILESC/C=C(O)\C(N)=C/C(C)C
InChIInChI=1S/C8H15NO/c1-4-8(10)7(9)5-6(2)3/h4-6,10H,9H2,1-3H3/b7-5+,8-4+
InChIKeyIWDVRIWLORTGLF-JBVHCYJISA-N
XLogP1.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.95
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 (2E,4E)-4-amino-6-methylhepta-2,4-dien-3-ol?
The IUPAC name of (2E,4E)-4-amino-6-methylhepta-2,4-dien-3-ol (CID 142227262) is (2E,4E)-4-amino-6-methylhepta-2,4-dien-3-ol.
What is the SMILES notation for (2E,4E)-4-amino-6-methylhepta-2,4-dien-3-ol?
The canonical SMILES for (2E,4E)-4-amino-6-methylhepta-2,4-dien-3-ol is C/C=C(O)\C(N)=C/C(C)C.
What is the InChIKey of (2E,4E)-4-amino-6-methylhepta-2,4-dien-3-ol?
The InChIKey is IWDVRIWLORTGLF-JBVHCYJISA-N. The full InChI is InChI=1S/C8H15NO/c1-4-8(10)7(9)5-6(2)3/h4-6,10H,9H2,1-3H3/b7-5+,8-4+.
What are the key properties of (2E,4E)-4-amino-6-methylhepta-2,4-dien-3-ol?
(2E,4E)-4-amino-6-methylhepta-2,4-dien-3-ol has a molecular weight of 141.21 g/mol, XLogP of 1.95, 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-6-methylhepta-2,4-dien-3-ol is sourced from PubChem (CID 142227262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).