N,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine

C6H14Cl2N2 — CID 88914323

IUPACN,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCl)CCN(C)CCl
InChIInChI=1S/C6H14Cl2N2/c1-9(5-7)3-4-10(2)6-8/h3-6H2,1-2H3
InChIKeyPMLPBQPAXMIZCZ-UHFFFAOYSA-N
MW185.10 g/mol
LogP1.24
Rot. Bonds5

About N,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine

N,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 88914323) has the molecular formula C6H14Cl2N2 and a molecular weight of 185.10 g/mol. Its IUPAC name is N,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID88914323
Molecular FormulaC6H14Cl2N2
Molecular Weight185.10 g/mol
Exact Mass184.05
IUPAC NameN,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCl)CCN(C)CCl
InChIInChI=1S/C6H14Cl2N2/c1-9(5-7)3-4-10(2)6-8/h3-6H2,1-2H3
InChIKeyPMLPBQPAXMIZCZ-UHFFFAOYSA-N
XLogP1.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine (CID 88914323) is N,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine is CN(CCl)CCN(C)CCl.
What is the InChIKey of N,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is PMLPBQPAXMIZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14Cl2N2/c1-9(5-7)3-4-10(2)6-8/h3-6H2,1-2H3.
What are the key properties of N,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine?
N,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 185.10 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 88914323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).