3-(2,3-dimethylbutyl)aziridin-2-amine

C8H18N2 — CID 123338046

IUPAC3-(2,3-dimethylbutyl)aziridin-2-amine
SMILESCC(C)C(C)CC1NC1N
InChIInChI=1S/C8H18N2/c1-5(2)6(3)4-7-8(9)10-7/h5-8,10H,4,9H2,1-3H3
InChIKeyRUTLCVFLJPAKAT-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.93
Rot. Bonds3

About 3-(2,3-dimethylbutyl)aziridin-2-amine

3-(2,3-dimethylbutyl)aziridin-2-amine (PubChem CID 123338046) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 3-(2,3-dimethylbutyl)aziridin-2-amine.

Molecular Properties

Compound Name3-(2,3-dimethylbutyl)aziridin-2-amine
PubChem CID123338046
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name3-(2,3-dimethylbutyl)aziridin-2-amine
SMILESCC(C)C(C)CC1NC1N
InChIInChI=1S/C8H18N2/c1-5(2)6(3)4-7-8(9)10-7/h5-8,10H,4,9H2,1-3H3
InChIKeyRUTLCVFLJPAKAT-UHFFFAOYSA-N
XLogP0.93
TPSA47.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-(2,3-dimethylbutyl)aziridin-2-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-(2,3-dimethylbutyl)aziridin-2-amine?
The IUPAC name of 3-(2,3-dimethylbutyl)aziridin-2-amine (CID 123338046) is 3-(2,3-dimethylbutyl)aziridin-2-amine.
What is the SMILES notation for 3-(2,3-dimethylbutyl)aziridin-2-amine?
The canonical SMILES for 3-(2,3-dimethylbutyl)aziridin-2-amine is CC(C)C(C)CC1NC1N.
What is the InChIKey of 3-(2,3-dimethylbutyl)aziridin-2-amine?
The InChIKey is RUTLCVFLJPAKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-5(2)6(3)4-7-8(9)10-7/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 3-(2,3-dimethylbutyl)aziridin-2-amine?
3-(2,3-dimethylbutyl)aziridin-2-amine has a molecular weight of 142.25 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutyl)aziridin-2-amine is sourced from PubChem (CID 123338046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).