2-(aminomethyl)-2-methylpent-4-en-1-ol

C7H15NO — CID 154577519

IUPAC2-(aminomethyl)-2-methylpent-4-en-1-ol
SMILESC=CCC(C)(CN)CO
InChIInChI=1S/C7H15NO/c1-3-4-7(2,5-8)6-9/h3,9H,1,4-6,8H2,2H3
InChIKeyKJKTYLFVKVCACI-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.52
Rot. Bonds4

About 2-(aminomethyl)-2-methylpent-4-en-1-ol

2-(aminomethyl)-2-methylpent-4-en-1-ol (PubChem CID 154577519) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methylpent-4-en-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-methylpent-4-en-1-ol
PubChem CID154577519
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-(aminomethyl)-2-methylpent-4-en-1-ol
SMILESC=CCC(C)(CN)CO
InChIInChI=1S/C7H15NO/c1-3-4-7(2,5-8)6-9/h3,9H,1,4-6,8H2,2H3
InChIKeyKJKTYLFVKVCACI-UHFFFAOYSA-N
XLogP0.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-2-methylpent-4-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methylpent-4-en-1-ol?
The IUPAC name of 2-(aminomethyl)-2-methylpent-4-en-1-ol (CID 154577519) is 2-(aminomethyl)-2-methylpent-4-en-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-methylpent-4-en-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-methylpent-4-en-1-ol is C=CCC(C)(CN)CO.
What is the InChIKey of 2-(aminomethyl)-2-methylpent-4-en-1-ol?
The InChIKey is KJKTYLFVKVCACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-7(2,5-8)6-9/h3,9H,1,4-6,8H2,2H3.
What are the key properties of 2-(aminomethyl)-2-methylpent-4-en-1-ol?
2-(aminomethyl)-2-methylpent-4-en-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methylpent-4-en-1-ol is sourced from PubChem (CID 154577519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).