2-methylpropane

C4H9+ — CID 4300978

IUPAC2-methylpropane
SMILESC[C+](C)C
InChIInChI=1S/C4H9/c1-4(2)3/h1-3H3/q+1
InChIKeyIKQSNVOJJISMJS-UHFFFAOYSA-N
MW57.12 g/mol
LogP1.62
Rot. Bonds

About 2-methylpropane

2-methylpropane (PubChem CID 4300978) has the molecular formula C4H9+ and a molecular weight of 57.12 g/mol. Its IUPAC name is 2-methylpropane.

Molecular Properties

Compound Name2-methylpropane
PubChem CID4300978
Molecular FormulaC4H9+
Molecular Weight57.12 g/mol
Exact Mass57.07
IUPAC Name2-methylpropane
SMILESC[C+](C)C
InChIInChI=1S/C4H9/c1-4(2)3/h1-3H3/q+1
InChIKeyIKQSNVOJJISMJS-UHFFFAOYSA-N
XLogP1.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50057.12
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Butane
CID 7843
Isobutane
CID 6360
Neopentane
CID 10041
Tert-Butyllithium
CID 53628101
t-Butyllithium
CID 638178
Butane-d10
CID 16213391
1,1,1,2,3,3,3-Heptadeuterio-2-(trideuteriomethyl)propane
CID 10558567
Butane-1-13C
CID 11535546
(1,1,1,4,4,4-~2~H_6_)Butane
CID 16213390
(~13~C_4_)Butane
CID 71309065
Butane-1,1,1-d3
CID 12205548
CID 4610720
CID 4610720

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane?
The IUPAC name of 2-methylpropane (CID 4300978) is 2-methylpropane.
What is the SMILES notation for 2-methylpropane?
The canonical SMILES for 2-methylpropane is C[C+](C)C.
What is the InChIKey of 2-methylpropane?
The InChIKey is IKQSNVOJJISMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9/c1-4(2)3/h1-3H3/q+1.
What are the key properties of 2-methylpropane?
2-methylpropane has a molecular weight of 57.12 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane is sourced from PubChem (CID 4300978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).