2-isocyano-2,3-dimethylbutane

C7H13N — CID 58366654

IUPAC2-isocyano-2,3-dimethylbutane
SMILES[C-]#[N+]C(C)(C)C(C)C
InChIInChI=1S/C7H13N/c1-6(2)7(3,4)8-5/h6H,1-4H3
InChIKeyPZFNTIZUGMZJMG-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.34
Rot. Bonds1

About 2-isocyano-2,3-dimethylbutane

2-isocyano-2,3-dimethylbutane (PubChem CID 58366654) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2-isocyano-2,3-dimethylbutane.

Molecular Properties

Compound Name2-isocyano-2,3-dimethylbutane
PubChem CID58366654
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2-isocyano-2,3-dimethylbutane
SMILES[C-]#[N+]C(C)(C)C(C)C
InChIInChI=1S/C7H13N/c1-6(2)7(3,4)8-5/h6H,1-4H3
InChIKeyPZFNTIZUGMZJMG-UHFFFAOYSA-N
XLogP2.34
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexakis(2-isocyano-2-methylpropane);technetium
CID 53463008
2-isocyano-2-propan-2-yloxypropane
CID 22735052
4-isocyano-2,4,6-trimethylheptane
CID 58269947
6-isocyano-2,6,7-trimethyloct-2-ene
CID 123535412
dichloropalladium;bis(2-isocyano-2-methylpropane)
CID 166047730
2,2-dibromo-3-methylbutane
CID 13047634
2,3-dimethyl(213C)butan-2-ol
CID 100985919
CID 123563572
CID 123563572
2,3-dimethylbutan-2-ylazanium
CID 19594176
1-bromo-2-isocyano-2-methylpropane
CID 140926683
silver;bis(2-isocyano-2-methylpropane);perchlorate
CID 71334274
methyl (2R)-2-amino-2-isocyano-3-methylbutanoate
CID 21337399

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-2,3-dimethylbutane?
The IUPAC name of 2-isocyano-2,3-dimethylbutane (CID 58366654) is 2-isocyano-2,3-dimethylbutane.
What is the SMILES notation for 2-isocyano-2,3-dimethylbutane?
The canonical SMILES for 2-isocyano-2,3-dimethylbutane is [C-]#[N+]C(C)(C)C(C)C.
What is the InChIKey of 2-isocyano-2,3-dimethylbutane?
The InChIKey is PZFNTIZUGMZJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6(2)7(3,4)8-5/h6H,1-4H3.
What are the key properties of 2-isocyano-2,3-dimethylbutane?
2-isocyano-2,3-dimethylbutane has a molecular weight of 111.19 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-2,3-dimethylbutane is sourced from PubChem (CID 58366654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).