2-methylbutane;nickel

C5H12Ni — CID 159021520

IUPAC2-methylbutane;nickel
SMILESCCC(C)C.[Ni]
InChIInChI=1S/C5H12.Ni/c1-4-5(2)3;/h5H,4H2,1-3H3;
InChIKeyJTTLPTHPVKMASH-UHFFFAOYSA-N
MW130.84 g/mol
LogP2.05
Rot. Bonds1

About 2-methylbutane;nickel

2-methylbutane;nickel (PubChem CID 159021520) has the molecular formula C5H12Ni and a molecular weight of 130.84 g/mol. Its IUPAC name is 2-methylbutane;nickel.

Molecular Properties

Compound Name2-methylbutane;nickel
PubChem CID159021520
Molecular FormulaC5H12Ni
Molecular Weight130.84 g/mol
Exact Mass130.03
IUPAC Name2-methylbutane;nickel
SMILESCCC(C)C.[Ni]
InChIInChI=1S/C5H12.Ni/c1-4-5(2)3;/h5H,4H2,1-3H3;
InChIKeyJTTLPTHPVKMASH-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.84
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-methylbutane;nickel 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

2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
2-methylbutane;yttrium
CID 157105537
CID 164983427
CID 164983427
hydroxylamine;2-methylbutane
CID 175063986
iodosilver;2-methylbutane
CID 174297027
ethane;methane;2-methylbutane;propane
CID 162144061
CID 169430456
CID 169430456
ethane;ethene;2-methylbutane;propane
CID 142006499
2-methylbutane;3-methylbutan-2-ol
CID 87553210
bis(but-2-yne);ethane;2-methylbutane
CID 144516003
1,1-difluoropropane;ethane;2-methylbutane
CID 176705110

Frequently Asked Questions

What is the IUPAC name of 2-methylbutane;nickel?
The IUPAC name of 2-methylbutane;nickel (CID 159021520) is 2-methylbutane;nickel.
What is the SMILES notation for 2-methylbutane;nickel?
The canonical SMILES for 2-methylbutane;nickel is CCC(C)C.[Ni].
What is the InChIKey of 2-methylbutane;nickel?
The InChIKey is JTTLPTHPVKMASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.Ni/c1-4-5(2)3;/h5H,4H2,1-3H3;.
What are the key properties of 2-methylbutane;nickel?
2-methylbutane;nickel has a molecular weight of 130.84 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane;nickel is sourced from PubChem (CID 159021520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).