(E)-3-cyclobutyl-2-methylprop-2-en-1-amine

C8H15N — CID 131543133

IUPAC(E)-3-cyclobutyl-2-methylprop-2-en-1-amine
SMILESC/C(=C\C1CCC1)CN
InChIInChI=1S/C8H15N/c1-7(6-9)5-8-3-2-4-8/h5,8H,2-4,6,9H2,1H3/b7-5+
InChIKeyWOCLKQGHXPMOJX-FNORWQNLSA-N
MW125.21 g/mol
LogP1.69
Rot. Bonds2

About (E)-3-cyclobutyl-2-methylprop-2-en-1-amine

(E)-3-cyclobutyl-2-methylprop-2-en-1-amine (PubChem CID 131543133) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (E)-3-cyclobutyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-cyclobutyl-2-methylprop-2-en-1-amine
PubChem CID131543133
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(E)-3-cyclobutyl-2-methylprop-2-en-1-amine
SMILESC/C(=C\C1CCC1)CN
InChIInChI=1S/C8H15N/c1-7(6-9)5-8-3-2-4-8/h5,8H,2-4,6,9H2,1H3/b7-5+
InChIKeyWOCLKQGHXPMOJX-FNORWQNLSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-cyclobutyl-2-methylprop-2-en-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 (E)-3-cyclobutyl-2-methylprop-2-en-1-amine?
The IUPAC name of (E)-3-cyclobutyl-2-methylprop-2-en-1-amine (CID 131543133) is (E)-3-cyclobutyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-cyclobutyl-2-methylprop-2-en-1-amine?
The canonical SMILES for (E)-3-cyclobutyl-2-methylprop-2-en-1-amine is C/C(=C\C1CCC1)CN.
What is the InChIKey of (E)-3-cyclobutyl-2-methylprop-2-en-1-amine?
The InChIKey is WOCLKQGHXPMOJX-FNORWQNLSA-N. The full InChI is InChI=1S/C8H15N/c1-7(6-9)5-8-3-2-4-8/h5,8H,2-4,6,9H2,1H3/b7-5+.
What are the key properties of (E)-3-cyclobutyl-2-methylprop-2-en-1-amine?
(E)-3-cyclobutyl-2-methylprop-2-en-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclobutyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 131543133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).