bis(2-chloropropane);N-methylmethanamine

C8H21Cl2N — CID 174814473

IUPACbis(2-chloropropane);N-methylmethanamine
SMILESCC(C)Cl.CC(C)Cl.CNC
InChIInChI=1S/2C3H7Cl.C2H7N/c2*1-3(2)4;1-3-2/h2*3H,1-2H3;3H,1-2H3
InChIKeyHFXCEPMEWUYWTG-UHFFFAOYSA-N
MW202.17 g/mol
LogP3.10
Rot. Bonds

About bis(2-chloropropane);N-methylmethanamine

bis(2-chloropropane);N-methylmethanamine (PubChem CID 174814473) has the molecular formula C8H21Cl2N and a molecular weight of 202.17 g/mol. Its IUPAC name is bis(2-chloropropane);N-methylmethanamine.

Molecular Properties

Compound Namebis(2-chloropropane);N-methylmethanamine
PubChem CID174814473
Molecular FormulaC8H21Cl2N
Molecular Weight202.17 g/mol
Exact Mass201.11
IUPAC Namebis(2-chloropropane);N-methylmethanamine
SMILESCC(C)Cl.CC(C)Cl.CNC
InChIInChI=1S/2C3H7Cl.C2H7N/c2*1-3(2)4;1-3-2/h2*3H,1-2H3;3H,1-2H3
InChIKeyHFXCEPMEWUYWTG-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 53.10
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 bis(2-chloropropane);N-methylmethanamine?
The IUPAC name of bis(2-chloropropane);N-methylmethanamine (CID 174814473) is bis(2-chloropropane);N-methylmethanamine.
What is the SMILES notation for bis(2-chloropropane);N-methylmethanamine?
The canonical SMILES for bis(2-chloropropane);N-methylmethanamine is CC(C)Cl.CC(C)Cl.CNC.
What is the InChIKey of bis(2-chloropropane);N-methylmethanamine?
The InChIKey is HFXCEPMEWUYWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7Cl.C2H7N/c2*1-3(2)4;1-3-2/h2*3H,1-2H3;3H,1-2H3.
What are the key properties of bis(2-chloropropane);N-methylmethanamine?
bis(2-chloropropane);N-methylmethanamine has a molecular weight of 202.17 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloropropane);N-methylmethanamine is sourced from PubChem (CID 174814473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).