3-(2-methylprop-2-enoxy)propan-1-amine

C7H15NO — CID 54056372

IUPAC3-(2-methylprop-2-enoxy)propan-1-amine
SMILESC=C(C)COCCCN
InChIInChI=1S/C7H15NO/c1-7(2)6-9-5-3-4-8/h1,3-6,8H2,2H3
InChIKeyLWOBOWFQLDMOFK-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.93
Rot. Bonds5

About 3-(2-methylprop-2-enoxy)propan-1-amine

3-(2-methylprop-2-enoxy)propan-1-amine (PubChem CID 54056372) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxy)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylprop-2-enoxy)propan-1-amine
PubChem CID54056372
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-(2-methylprop-2-enoxy)propan-1-amine
SMILESC=C(C)COCCCN
InChIInChI=1S/C7H15NO/c1-7(2)6-9-5-3-4-8/h1,3-6,8H2,2H3
InChIKeyLWOBOWFQLDMOFK-UHFFFAOYSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-methylprop-2-enoxy)propan-1-amine 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 3-(2-methylprop-2-enoxy)propan-1-amine?
The IUPAC name of 3-(2-methylprop-2-enoxy)propan-1-amine (CID 54056372) is 3-(2-methylprop-2-enoxy)propan-1-amine.
What is the SMILES notation for 3-(2-methylprop-2-enoxy)propan-1-amine?
The canonical SMILES for 3-(2-methylprop-2-enoxy)propan-1-amine is C=C(C)COCCCN.
What is the InChIKey of 3-(2-methylprop-2-enoxy)propan-1-amine?
The InChIKey is LWOBOWFQLDMOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)6-9-5-3-4-8/h1,3-6,8H2,2H3.
What are the key properties of 3-(2-methylprop-2-enoxy)propan-1-amine?
3-(2-methylprop-2-enoxy)propan-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoxy)propan-1-amine is sourced from PubChem (CID 54056372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).