3-amino-2-methylhex-5-en-3-ol

C7H15NO — CID 87728442

IUPAC3-amino-2-methylhex-5-en-3-ol
SMILESC=CCC(N)(O)C(C)C
InChIInChI=1S/C7H15NO/c1-4-5-7(8,9)6(2)3/h4,6,9H,1,5,8H2,2-3H3
InChIKeyPGTBQHMRSZHNOM-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.87
Rot. Bonds3

About 3-amino-2-methylhex-5-en-3-ol

3-amino-2-methylhex-5-en-3-ol (PubChem CID 87728442) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-amino-2-methylhex-5-en-3-ol.

Molecular Properties

Compound Name3-amino-2-methylhex-5-en-3-ol
PubChem CID87728442
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-amino-2-methylhex-5-en-3-ol
SMILESC=CCC(N)(O)C(C)C
InChIInChI=1S/C7H15NO/c1-4-5-7(8,9)6(2)3/h4,6,9H,1,5,8H2,2-3H3
InChIKeyPGTBQHMRSZHNOM-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylhex-5-en-3-ol?
The IUPAC name of 3-amino-2-methylhex-5-en-3-ol (CID 87728442) is 3-amino-2-methylhex-5-en-3-ol.
What is the SMILES notation for 3-amino-2-methylhex-5-en-3-ol?
The canonical SMILES for 3-amino-2-methylhex-5-en-3-ol is C=CCC(N)(O)C(C)C.
What is the InChIKey of 3-amino-2-methylhex-5-en-3-ol?
The InChIKey is PGTBQHMRSZHNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-7(8,9)6(2)3/h4,6,9H,1,5,8H2,2-3H3.
What are the key properties of 3-amino-2-methylhex-5-en-3-ol?
3-amino-2-methylhex-5-en-3-ol has a molecular weight of 129.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylhex-5-en-3-ol is sourced from PubChem (CID 87728442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).