chloroethane;N-methylmethanamine

C4H12ClN — CID 22319190

IUPACchloroethane;N-methylmethanamine
SMILESCCCl.CNC
InChIInChI=1S/C2H5Cl.C2H7N/c1-2-3;1-3-2/h2H2,1H3;3H,1-2H3
InChIKeyUADVRJABKWXUEN-UHFFFAOYSA-N
MW109.60 g/mol
LogP1.08
Rot. Bonds

About chloroethane;N-methylmethanamine

chloroethane;N-methylmethanamine (PubChem CID 22319190) has the molecular formula C4H12ClN and a molecular weight of 109.60 g/mol. Its IUPAC name is chloroethane;N-methylmethanamine.

Molecular Properties

Compound Namechloroethane;N-methylmethanamine
PubChem CID22319190
Molecular FormulaC4H12ClN
Molecular Weight109.60 g/mol
Exact Mass109.07
IUPAC Namechloroethane;N-methylmethanamine
SMILESCCCl.CNC
InChIInChI=1S/C2H5Cl.C2H7N/c1-2-3;1-3-2/h2H2,1H3;3H,1-2H3
InChIKeyUADVRJABKWXUEN-UHFFFAOYSA-N
XLogP1.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.60
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloroethane;N-methylmethanamine?
The IUPAC name of chloroethane;N-methylmethanamine (CID 22319190) is chloroethane;N-methylmethanamine.
What is the SMILES notation for chloroethane;N-methylmethanamine?
The canonical SMILES for chloroethane;N-methylmethanamine is CCCl.CNC.
What is the InChIKey of chloroethane;N-methylmethanamine?
The InChIKey is UADVRJABKWXUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl.C2H7N/c1-2-3;1-3-2/h2H2,1H3;3H,1-2H3.
What are the key properties of chloroethane;N-methylmethanamine?
chloroethane;N-methylmethanamine has a molecular weight of 109.60 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane;N-methylmethanamine is sourced from PubChem (CID 22319190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).