acetonitrile;N-methylmethanamine;hydrochloride

C4H11ClN2 — CID 23349362

IUPACacetonitrile;N-methylmethanamine;hydrochloride
SMILESCC#N.CNC.Cl
InChIInChI=1S/C2H7N.C2H3N.ClH/c1-3-2;1-2-3;/h3H,1-2H3;1H3;1H
InChIKeyVPUOLTIGWHSYKJ-UHFFFAOYSA-N
MW122.60 g/mol
LogP0.79
Rot. Bonds

About acetonitrile;N-methylmethanamine;hydrochloride

acetonitrile;N-methylmethanamine;hydrochloride (PubChem CID 23349362) has the molecular formula C4H11ClN2 and a molecular weight of 122.60 g/mol. Its IUPAC name is acetonitrile;N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Nameacetonitrile;N-methylmethanamine;hydrochloride
PubChem CID23349362
Molecular FormulaC4H11ClN2
Molecular Weight122.60 g/mol
Exact Mass122.06
IUPAC Nameacetonitrile;N-methylmethanamine;hydrochloride
SMILESCC#N.CNC.Cl
InChIInChI=1S/C2H7N.C2H3N.ClH/c1-3-2;1-2-3;/h3H,1-2H3;1H3;1H
InChIKeyVPUOLTIGWHSYKJ-UHFFFAOYSA-N
XLogP0.79
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.60
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;N-methylmethanamine;hydrochloride?
The IUPAC name of acetonitrile;N-methylmethanamine;hydrochloride (CID 23349362) is acetonitrile;N-methylmethanamine;hydrochloride.
What is the SMILES notation for acetonitrile;N-methylmethanamine;hydrochloride?
The canonical SMILES for acetonitrile;N-methylmethanamine;hydrochloride is CC#N.CNC.Cl.
What is the InChIKey of acetonitrile;N-methylmethanamine;hydrochloride?
The InChIKey is VPUOLTIGWHSYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.C2H3N.ClH/c1-3-2;1-2-3;/h3H,1-2H3;1H3;1H.
What are the key properties of acetonitrile;N-methylmethanamine;hydrochloride?
acetonitrile;N-methylmethanamine;hydrochloride has a molecular weight of 122.60 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;N-methylmethanamine;hydrochloride is sourced from PubChem (CID 23349362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).