1-amino-3,5-dimethylhex-4-en-3-ol

C8H17NO — CID 79179305

IUPAC1-amino-3,5-dimethylhex-4-en-3-ol
SMILESCC(C)=CC(C)(O)CCN
InChIInChI=1S/C8H17NO/c1-7(2)6-8(3,10)4-5-9/h6,10H,4-5,9H2,1-3H3
InChIKeySIWRWWZGEZGRLD-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.05
Rot. Bonds3

About 1-amino-3,5-dimethylhex-4-en-3-ol

1-amino-3,5-dimethylhex-4-en-3-ol (PubChem CID 79179305) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-amino-3,5-dimethylhex-4-en-3-ol.

Molecular Properties

Compound Name1-amino-3,5-dimethylhex-4-en-3-ol
PubChem CID79179305
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-amino-3,5-dimethylhex-4-en-3-ol
SMILESCC(C)=CC(C)(O)CCN
InChIInChI=1S/C8H17NO/c1-7(2)6-8(3,10)4-5-9/h6,10H,4-5,9H2,1-3H3
InChIKeySIWRWWZGEZGRLD-UHFFFAOYSA-N
XLogP1.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.05
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-3,5-dimethylhex-4-en-3-ol?
The IUPAC name of 1-amino-3,5-dimethylhex-4-en-3-ol (CID 79179305) is 1-amino-3,5-dimethylhex-4-en-3-ol.
What is the SMILES notation for 1-amino-3,5-dimethylhex-4-en-3-ol?
The canonical SMILES for 1-amino-3,5-dimethylhex-4-en-3-ol is CC(C)=CC(C)(O)CCN.
What is the InChIKey of 1-amino-3,5-dimethylhex-4-en-3-ol?
The InChIKey is SIWRWWZGEZGRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)6-8(3,10)4-5-9/h6,10H,4-5,9H2,1-3H3.
What are the key properties of 1-amino-3,5-dimethylhex-4-en-3-ol?
1-amino-3,5-dimethylhex-4-en-3-ol has a molecular weight of 143.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,5-dimethylhex-4-en-3-ol is sourced from PubChem (CID 79179305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).