2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine

C7H13N — CID 163544477

IUPAC2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine
SMILESCC1=C(C)C1CCN
InChIInChI=1S/C7H13N/c1-5-6(2)7(5)3-4-8/h7H,3-4,8H2,1-2H3
InChIKeyFDVRKFQYZVKRMP-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.30
Rot. Bonds2

About 2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine

2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine (PubChem CID 163544477) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine
PubChem CID163544477
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine
SMILESCC1=C(C)C1CCN
InChIInChI=1S/C7H13N/c1-5-6(2)7(5)3-4-8/h7H,3-4,8H2,1-2H3
InChIKeyFDVRKFQYZVKRMP-UHFFFAOYSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine 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-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine?
The IUPAC name of 2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine (CID 163544477) is 2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine?
The canonical SMILES for 2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine is CC1=C(C)C1CCN.
What is the InChIKey of 2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine?
The InChIKey is FDVRKFQYZVKRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-6(2)7(5)3-4-8/h7H,3-4,8H2,1-2H3.
What are the key properties of 2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine?
2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine has a molecular weight of 111.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylcycloprop-2-en-1-yl)ethanamine is sourced from PubChem (CID 163544477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).