1-amino-5-methylhex-4-en-3-ol

C7H15NO — CID 55281593

IUPAC1-amino-5-methylhex-4-en-3-ol
SMILESCC(C)=CC(O)CCN
InChIInChI=1S/C7H15NO/c1-6(2)5-7(9)3-4-8/h5,7,9H,3-4,8H2,1-2H3
InChIKeyXYNOCVGRWJEDJA-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.66
Rot. Bonds3

About 1-amino-5-methylhex-4-en-3-ol

1-amino-5-methylhex-4-en-3-ol (PubChem CID 55281593) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-amino-5-methylhex-4-en-3-ol.

Molecular Properties

Compound Name1-amino-5-methylhex-4-en-3-ol
PubChem CID55281593
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-amino-5-methylhex-4-en-3-ol
SMILESCC(C)=CC(O)CCN
InChIInChI=1S/C7H15NO/c1-6(2)5-7(9)3-4-8/h5,7,9H,3-4,8H2,1-2H3
InChIKeyXYNOCVGRWJEDJA-UHFFFAOYSA-N
XLogP0.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.66
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 1-amino-5-methylhex-4-en-3-ol?
The IUPAC name of 1-amino-5-methylhex-4-en-3-ol (CID 55281593) is 1-amino-5-methylhex-4-en-3-ol.
What is the SMILES notation for 1-amino-5-methylhex-4-en-3-ol?
The canonical SMILES for 1-amino-5-methylhex-4-en-3-ol is CC(C)=CC(O)CCN.
What is the InChIKey of 1-amino-5-methylhex-4-en-3-ol?
The InChIKey is XYNOCVGRWJEDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)5-7(9)3-4-8/h5,7,9H,3-4,8H2,1-2H3.
What are the key properties of 1-amino-5-methylhex-4-en-3-ol?
1-amino-5-methylhex-4-en-3-ol has a molecular weight of 129.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-methylhex-4-en-3-ol is sourced from PubChem (CID 55281593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).