2-isocyano-N,N-dimethylethanamine

C5H10N2 — CID 2771550

IUPAC2-isocyano-N,N-dimethylethanamine
SMILES[C-]#[N+]CCN(C)C
InChIInChI=1S/C5H10N2/c1-6-4-5-7(2)3/h4-5H2,2-3H3
InChIKeyZWBMLNOJOQRAMW-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.47
Rot. Bonds2

About 2-isocyano-N,N-dimethylethanamine

2-isocyano-N,N-dimethylethanamine (PubChem CID 2771550) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2-isocyano-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-isocyano-N,N-dimethylethanamine
PubChem CID2771550
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2-isocyano-N,N-dimethylethanamine
SMILES[C-]#[N+]CCN(C)C
InChIInChI=1S/C5H10N2/c1-6-4-5-7(2)3/h4-5H2,2-3H3
InChIKeyZWBMLNOJOQRAMW-UHFFFAOYSA-N
XLogP0.47
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-isocyano-N,N-dimethylethanamine?
The IUPAC name of 2-isocyano-N,N-dimethylethanamine (CID 2771550) is 2-isocyano-N,N-dimethylethanamine.
What is the SMILES notation for 2-isocyano-N,N-dimethylethanamine?
The canonical SMILES for 2-isocyano-N,N-dimethylethanamine is [C-]#[N+]CCN(C)C.
What is the InChIKey of 2-isocyano-N,N-dimethylethanamine?
The InChIKey is ZWBMLNOJOQRAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-6-4-5-7(2)3/h4-5H2,2-3H3.
What are the key properties of 2-isocyano-N,N-dimethylethanamine?
2-isocyano-N,N-dimethylethanamine has a molecular weight of 98.15 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-N,N-dimethylethanamine is sourced from PubChem (CID 2771550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).