N,2-dimethylpropanimidoyl isocyanide

C6H10N2 — CID 163759025

IUPACN,2-dimethylpropanimidoyl isocyanide
SMILES[C-]#[N+]/C(=N\C)C(C)C
InChIInChI=1S/C6H10N2/c1-5(2)6(7-3)8-4/h5H,1-3H3/b7-6-
InChIKeyRAVRRUSYBQJJDZ-SREVYHEPSA-N
MW110.16 g/mol
LogP1.59
Rot. Bonds1

About N,2-dimethylpropanimidoyl isocyanide

N,2-dimethylpropanimidoyl isocyanide (PubChem CID 163759025) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N,2-dimethylpropanimidoyl isocyanide.

Molecular Properties

Compound NameN,2-dimethylpropanimidoyl isocyanide
PubChem CID163759025
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN,2-dimethylpropanimidoyl isocyanide
SMILES[C-]#[N+]/C(=N\C)C(C)C
InChIInChI=1S/C6H10N2/c1-5(2)6(7-3)8-4/h5H,1-3H3/b7-6-
InChIKeyRAVRRUSYBQJJDZ-SREVYHEPSA-N
XLogP1.59
TPSA16.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpropanimidoyl isocyanide?
The IUPAC name of N,2-dimethylpropanimidoyl isocyanide (CID 163759025) is N,2-dimethylpropanimidoyl isocyanide.
What is the SMILES notation for N,2-dimethylpropanimidoyl isocyanide?
The canonical SMILES for N,2-dimethylpropanimidoyl isocyanide is [C-]#[N+]/C(=N\C)C(C)C.
What is the InChIKey of N,2-dimethylpropanimidoyl isocyanide?
The InChIKey is RAVRRUSYBQJJDZ-SREVYHEPSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(2)6(7-3)8-4/h5H,1-3H3/b7-6-.
What are the key properties of N,2-dimethylpropanimidoyl isocyanide?
N,2-dimethylpropanimidoyl isocyanide has a molecular weight of 110.16 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpropanimidoyl isocyanide is sourced from PubChem (CID 163759025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).