chloroethane;methanamine

C5H20ClN3 — CID 174417193

IUPACchloroethane;methanamine
SMILESCCCl.CN.CN.CN
InChIInChI=1S/C2H5Cl.3CH5N/c1-2-3;3*1-2/h2H2,1H3;3*2H2,1H3
InChIKeyHOXCOAYEKGJYGQ-UHFFFAOYSA-N
MW157.69 g/mol
LogP-0.03
Rot. Bonds

About chloroethane;methanamine

chloroethane;methanamine (PubChem CID 174417193) has the molecular formula C5H20ClN3 and a molecular weight of 157.69 g/mol. Its IUPAC name is chloroethane;methanamine.

Molecular Properties

Compound Namechloroethane;methanamine
PubChem CID174417193
Molecular FormulaC5H20ClN3
Molecular Weight157.69 g/mol
Exact Mass157.13
IUPAC Namechloroethane;methanamine
SMILESCCCl.CN.CN.CN
InChIInChI=1S/C2H5Cl.3CH5N/c1-2-3;3*1-2/h2H2,1H3;3*2H2,1H3
InChIKeyHOXCOAYEKGJYGQ-UHFFFAOYSA-N
XLogP-0.03
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.69
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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;methanamine?
The IUPAC name of chloroethane;methanamine (CID 174417193) is chloroethane;methanamine.
What is the SMILES notation for chloroethane;methanamine?
The canonical SMILES for chloroethane;methanamine is CCCl.CN.CN.CN.
What is the InChIKey of chloroethane;methanamine?
The InChIKey is HOXCOAYEKGJYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl.3CH5N/c1-2-3;3*1-2/h2H2,1H3;3*2H2,1H3.
What are the key properties of chloroethane;methanamine?
chloroethane;methanamine has a molecular weight of 157.69 g/mol, XLogP of -0.03, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane;methanamine is sourced from PubChem (CID 174417193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).