butan-2-ylazanium

C4H12N+ — CID 5247073

IUPACbutan-2-ylazanium
SMILESCCC(C)[NH3+]
InChIInChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/p+1
InChIKeyBHRZNVHARXXAHW-UHFFFAOYSA-O
MW74.15 g/mol
LogP0.03
Rot. Bonds1

About butan-2-ylazanium

butan-2-ylazanium (PubChem CID 5247073) has the molecular formula C4H12N+ and a molecular weight of 74.15 g/mol. Its IUPAC name is butan-2-ylazanium.

Molecular Properties

Compound Namebutan-2-ylazanium
PubChem CID5247073
Molecular FormulaC4H12N+
Molecular Weight74.15 g/mol
Exact Mass74.10
IUPAC Namebutan-2-ylazanium
SMILESCCC(C)[NH3+]
InChIInChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/p+1
InChIKeyBHRZNVHARXXAHW-UHFFFAOYSA-O
XLogP0.03
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.15
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze butan-2-ylazanium 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 butan-2-ylazanium?
The IUPAC name of butan-2-ylazanium (CID 5247073) is butan-2-ylazanium.
What is the SMILES notation for butan-2-ylazanium?
The canonical SMILES for butan-2-ylazanium is CCC(C)[NH3+].
What is the InChIKey of butan-2-ylazanium?
The InChIKey is BHRZNVHARXXAHW-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/p+1.
What are the key properties of butan-2-ylazanium?
butan-2-ylazanium has a molecular weight of 74.15 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylazanium is sourced from PubChem (CID 5247073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).