(2E,5E)-1-amino-3-methylhepta-2,5-dien-4-ol

C8H15NO — CID 55284292

IUPAC(2E,5E)-1-amino-3-methylhepta-2,5-dien-4-ol
SMILESC/C=C/C(O)/C(C)=C/CN
InChIInChI=1S/C8H15NO/c1-3-4-8(10)7(2)5-6-9/h3-5,8,10H,6,9H2,1-2H3/b4-3+,7-5+
InChIKeyOOINGAKFXPAEEY-BDWKERMESA-N
MW141.21 g/mol
LogP0.83
Rot. Bonds3

About (2E,5E)-1-amino-3-methylhepta-2,5-dien-4-ol

(2E,5E)-1-amino-3-methylhepta-2,5-dien-4-ol (PubChem CID 55284292) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2E,5E)-1-amino-3-methylhepta-2,5-dien-4-ol.

Molecular Properties

Compound Name(2E,5E)-1-amino-3-methylhepta-2,5-dien-4-ol
PubChem CID55284292
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2E,5E)-1-amino-3-methylhepta-2,5-dien-4-ol
SMILESC/C=C/C(O)/C(C)=C/CN
InChIInChI=1S/C8H15NO/c1-3-4-8(10)7(2)5-6-9/h3-5,8,10H,6,9H2,1-2H3/b4-3+,7-5+
InChIKeyOOINGAKFXPAEEY-BDWKERMESA-N
XLogP0.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,5E)-1-amino-3-methylhepta-2,5-dien-4-ol?
The IUPAC name of (2E,5E)-1-amino-3-methylhepta-2,5-dien-4-ol (CID 55284292) is (2E,5E)-1-amino-3-methylhepta-2,5-dien-4-ol.
What is the SMILES notation for (2E,5E)-1-amino-3-methylhepta-2,5-dien-4-ol?
The canonical SMILES for (2E,5E)-1-amino-3-methylhepta-2,5-dien-4-ol is C/C=C/C(O)/C(C)=C/CN.
What is the InChIKey of (2E,5E)-1-amino-3-methylhepta-2,5-dien-4-ol?
The InChIKey is OOINGAKFXPAEEY-BDWKERMESA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-8(10)7(2)5-6-9/h3-5,8,10H,6,9H2,1-2H3/b4-3+,7-5+.
What are the key properties of (2E,5E)-1-amino-3-methylhepta-2,5-dien-4-ol?
(2E,5E)-1-amino-3-methylhepta-2,5-dien-4-ol has a molecular weight of 141.21 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-1-amino-3-methylhepta-2,5-dien-4-ol is sourced from PubChem (CID 55284292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).