2-[chloro(methyl)amino]-2-methylpropanenitrile

C5H9ClN2 — CID 126664097

IUPAC2-[chloro(methyl)amino]-2-methylpropanenitrile
SMILESCN(Cl)C(C)(C)C#N
InChIInChI=1S/C5H9ClN2/c1-5(2,4-7)8(3)6/h1-3H3
InChIKeyJEMYCKSATWZAHS-UHFFFAOYSA-N
MW132.59 g/mol
LogP1.37
Rot. Bonds1

About 2-[chloro(methyl)amino]-2-methylpropanenitrile

2-[chloro(methyl)amino]-2-methylpropanenitrile (PubChem CID 126664097) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is 2-[chloro(methyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[chloro(methyl)amino]-2-methylpropanenitrile
PubChem CID126664097
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name2-[chloro(methyl)amino]-2-methylpropanenitrile
SMILESCN(Cl)C(C)(C)C#N
InChIInChI=1S/C5H9ClN2/c1-5(2,4-7)8(3)6/h1-3H3
InChIKeyJEMYCKSATWZAHS-UHFFFAOYSA-N
XLogP1.37
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[chloro(methyl)amino]-2-methylpropanenitrile?
The IUPAC name of 2-[chloro(methyl)amino]-2-methylpropanenitrile (CID 126664097) is 2-[chloro(methyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[chloro(methyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 2-[chloro(methyl)amino]-2-methylpropanenitrile is CN(Cl)C(C)(C)C#N.
What is the InChIKey of 2-[chloro(methyl)amino]-2-methylpropanenitrile?
The InChIKey is JEMYCKSATWZAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN2/c1-5(2,4-7)8(3)6/h1-3H3.
What are the key properties of 2-[chloro(methyl)amino]-2-methylpropanenitrile?
2-[chloro(methyl)amino]-2-methylpropanenitrile has a molecular weight of 132.59 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(methyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 126664097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).