chloroethane;N'-(3-chloro-3-methylbutyl)methanediimine

C8H16Cl2N2 — CID 175124306

IUPACchloroethane;N'-(3-chloro-3-methylbutyl)methanediimine
SMILESCC(C)(Cl)CCN=C=N.CCCl
InChIInChI=1S/C6H11ClN2.C2H5Cl/c1-6(2,7)3-4-9-5-8;1-2-3/h8H,3-4H2,1-2H3;2H2,1H3
InChIKeyOOAISNFQWYEOFZ-UHFFFAOYSA-N
MW211.14 g/mol
LogP3.39
Rot. Bonds3

About chloroethane;N'-(3-chloro-3-methylbutyl)methanediimine

chloroethane;N'-(3-chloro-3-methylbutyl)methanediimine (PubChem CID 175124306) has the molecular formula C8H16Cl2N2 and a molecular weight of 211.14 g/mol. Its IUPAC name is chloroethane;N'-(3-chloro-3-methylbutyl)methanediimine.

Molecular Properties

Compound Namechloroethane;N'-(3-chloro-3-methylbutyl)methanediimine
PubChem CID175124306
Molecular FormulaC8H16Cl2N2
Molecular Weight211.14 g/mol
Exact Mass210.07
IUPAC Namechloroethane;N'-(3-chloro-3-methylbutyl)methanediimine
SMILESCC(C)(Cl)CCN=C=N.CCCl
InChIInChI=1S/C6H11ClN2.C2H5Cl/c1-6(2,7)3-4-9-5-8;1-2-3/h8H,3-4H2,1-2H3;2H2,1H3
InChIKeyOOAISNFQWYEOFZ-UHFFFAOYSA-N
XLogP3.39
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze chloroethane;N'-(3-chloro-3-methylbutyl)methanediimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methylmethanamine;N'-propylmethanediimine
CID 21287161
N'-ethylmethanediimine;methanol
CID 172822165
N-ethyl-3-(iminomethylideneamino)propan-1-amine
CID 87985378
2-chloro-2-methylheptadecane
CID 19869804
3-chloro-N,N-dimethylpropan-1-amine;N'-ethylmethanediimine
CID 159163841
azane;2-chloro-2-methyltridecane
CID 87093642
2-chloro-2-methylhexane;cyclobutane
CID 175373010
3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane
CID 19063554
N'-(6,6-dichlorohexyl)methanediimine;hydrochloride
CID 162330492
4-(ethyliminomethylideneamino)butane-2,2-diamine
CID 177255665
4-(iminomethylideneamino)-N-methylbutan-2-amine
CID 88601854
2-chloro-2-methylbutane;methanol
CID 88619841

Frequently Asked Questions

What is the IUPAC name of chloroethane;N'-(3-chloro-3-methylbutyl)methanediimine?
The IUPAC name of chloroethane;N'-(3-chloro-3-methylbutyl)methanediimine (CID 175124306) is chloroethane;N'-(3-chloro-3-methylbutyl)methanediimine.
What is the SMILES notation for chloroethane;N'-(3-chloro-3-methylbutyl)methanediimine?
The canonical SMILES for chloroethane;N'-(3-chloro-3-methylbutyl)methanediimine is CC(C)(Cl)CCN=C=N.CCCl.
What is the InChIKey of chloroethane;N'-(3-chloro-3-methylbutyl)methanediimine?
The InChIKey is OOAISNFQWYEOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2.C2H5Cl/c1-6(2,7)3-4-9-5-8;1-2-3/h8H,3-4H2,1-2H3;2H2,1H3.
What are the key properties of chloroethane;N'-(3-chloro-3-methylbutyl)methanediimine?
chloroethane;N'-(3-chloro-3-methylbutyl)methanediimine has a molecular weight of 211.14 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane;N'-(3-chloro-3-methylbutyl)methanediimine is sourced from PubChem (CID 175124306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).