(2E,4E)-3-amino-5-methylhepta-2,4-dien-4-ol

C8H15NO — CID 143076663

IUPAC(2E,4E)-3-amino-5-methylhepta-2,4-dien-4-ol
SMILESC/C=C(N)\C(O)=C(\C)CC
InChIInChI=1S/C8H15NO/c1-4-6(3)8(10)7(9)5-2/h5,10H,4,9H2,1-3H3/b7-5+,8-6+
InChIKeyZGFMXATYOBSBQF-KQQUZDAGSA-N
MW141.21 g/mol
LogP2.09
Rot. Bonds2

About (2E,4E)-3-amino-5-methylhepta-2,4-dien-4-ol

(2E,4E)-3-amino-5-methylhepta-2,4-dien-4-ol (PubChem CID 143076663) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2E,4E)-3-amino-5-methylhepta-2,4-dien-4-ol.

Molecular Properties

Compound Name(2E,4E)-3-amino-5-methylhepta-2,4-dien-4-ol
PubChem CID143076663
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2E,4E)-3-amino-5-methylhepta-2,4-dien-4-ol
SMILESC/C=C(N)\C(O)=C(\C)CC
InChIInChI=1S/C8H15NO/c1-4-6(3)8(10)7(9)5-2/h5,10H,4,9H2,1-3H3/b7-5+,8-6+
InChIKeyZGFMXATYOBSBQF-KQQUZDAGSA-N
XLogP2.09
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 ≤ 52.09
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)-3-amino-5-methylhepta-2,4-dien-4-ol?
The IUPAC name of (2E,4E)-3-amino-5-methylhepta-2,4-dien-4-ol (CID 143076663) is (2E,4E)-3-amino-5-methylhepta-2,4-dien-4-ol.
What is the SMILES notation for (2E,4E)-3-amino-5-methylhepta-2,4-dien-4-ol?
The canonical SMILES for (2E,4E)-3-amino-5-methylhepta-2,4-dien-4-ol is C/C=C(N)\C(O)=C(\C)CC.
What is the InChIKey of (2E,4E)-3-amino-5-methylhepta-2,4-dien-4-ol?
The InChIKey is ZGFMXATYOBSBQF-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-6(3)8(10)7(9)5-2/h5,10H,4,9H2,1-3H3/b7-5+,8-6+.
What are the key properties of (2E,4E)-3-amino-5-methylhepta-2,4-dien-4-ol?
(2E,4E)-3-amino-5-methylhepta-2,4-dien-4-ol has a molecular weight of 141.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-amino-5-methylhepta-2,4-dien-4-ol is sourced from PubChem (CID 143076663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).