2-chloropropane;bis(N-methylmethanamine)

C7H21ClN2 — CID 88525662

IUPAC2-chloropropane;bis(N-methylmethanamine)
SMILESCC(C)Cl.CNC.CNC
InChIInChI=1S/C3H7Cl.2C2H7N/c1-3(2)4;2*1-3-2/h3H,1-2H3;2*3H,1-2H3
InChIKeyOKUBZWWHFSOYMU-UHFFFAOYSA-N
MW168.71 g/mol
LogP1.30
Rot. Bonds

About 2-chloropropane;bis(N-methylmethanamine)

2-chloropropane;bis(N-methylmethanamine) (PubChem CID 88525662) has the molecular formula C7H21ClN2 and a molecular weight of 168.71 g/mol. Its IUPAC name is 2-chloropropane;bis(N-methylmethanamine).

Molecular Properties

Compound Name2-chloropropane;bis(N-methylmethanamine)
PubChem CID88525662
Molecular FormulaC7H21ClN2
Molecular Weight168.71 g/mol
Exact Mass168.14
IUPAC Name2-chloropropane;bis(N-methylmethanamine)
SMILESCC(C)Cl.CNC.CNC
InChIInChI=1S/C3H7Cl.2C2H7N/c1-3(2)4;2*1-3-2/h3H,1-2H3;2*3H,1-2H3
InChIKeyOKUBZWWHFSOYMU-UHFFFAOYSA-N
XLogP1.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.71
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-chloropropane;bis(N-methylmethanamine)?
The IUPAC name of 2-chloropropane;bis(N-methylmethanamine) (CID 88525662) is 2-chloropropane;bis(N-methylmethanamine).
What is the SMILES notation for 2-chloropropane;bis(N-methylmethanamine)?
The canonical SMILES for 2-chloropropane;bis(N-methylmethanamine) is CC(C)Cl.CNC.CNC.
What is the InChIKey of 2-chloropropane;bis(N-methylmethanamine)?
The InChIKey is OKUBZWWHFSOYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl.2C2H7N/c1-3(2)4;2*1-3-2/h3H,1-2H3;2*3H,1-2H3.
What are the key properties of 2-chloropropane;bis(N-methylmethanamine)?
2-chloropropane;bis(N-methylmethanamine) has a molecular weight of 168.71 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropropane;bis(N-methylmethanamine) is sourced from PubChem (CID 88525662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).