N'-(6,6-dichlorohexyl)methanediimine;hydrochloride

C7H13Cl3N2 — CID 162330492

IUPACN'-(6,6-dichlorohexyl)methanediimine;hydrochloride
SMILESCl.N=C=NCCCCCC(Cl)Cl
InChIInChI=1S/C7H12Cl2N2.ClH/c8-7(9)4-2-1-3-5-11-6-10;/h7,10H,1-5H2;1H
InChIKeyOCOIWRBQFWEHPW-UHFFFAOYSA-N
MW231.55 g/mol
LogP3.52
Rot. Bonds6

About N'-(6,6-dichlorohexyl)methanediimine;hydrochloride

N'-(6,6-dichlorohexyl)methanediimine;hydrochloride (PubChem CID 162330492) has the molecular formula C7H13Cl3N2 and a molecular weight of 231.55 g/mol. Its IUPAC name is N'-(6,6-dichlorohexyl)methanediimine;hydrochloride.

Molecular Properties

Compound NameN'-(6,6-dichlorohexyl)methanediimine;hydrochloride
PubChem CID162330492
Molecular FormulaC7H13Cl3N2
Molecular Weight231.55 g/mol
Exact Mass230.01
IUPAC NameN'-(6,6-dichlorohexyl)methanediimine;hydrochloride
SMILESCl.N=C=NCCCCCC(Cl)Cl
InChIInChI=1S/C7H12Cl2N2.ClH/c8-7(9)4-2-1-3-5-11-6-10;/h7,10H,1-5H2;1H
InChIKeyOCOIWRBQFWEHPW-UHFFFAOYSA-N
XLogP3.52
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.55
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(6,6-dichlorohexyl)methanediimine;hydrochloride 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

1,1,6,6-tetrachlorohexane
CID 87407260
3-(iminomethylideneamino)propan-1-amine;hydrochloride
CID 87898615
19,19-dichlorononadec-1-yne
CID 88635184
CID 76519424
CID 76519424
1,1-dichloroheptane
CID 13184
CID 170843671
CID 170843671
3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane
CID 19063554
N-ethyl-3-(iminomethylideneamino)propan-1-amine
CID 87985378
1-isocyanato-23-methyltetracosane
CID 140840712
4-(iminomethylideneamino)-N-methylbutan-2-amine
CID 88601854
1-(1,6-diisocyanatohexylsulfanyl)-1,6-diisocyanatohexane
CID 57263337
22,22-dichlorodocosyl(methyl)silane
CID 170842182

Frequently Asked Questions

What is the IUPAC name of N'-(6,6-dichlorohexyl)methanediimine;hydrochloride?
The IUPAC name of N'-(6,6-dichlorohexyl)methanediimine;hydrochloride (CID 162330492) is N'-(6,6-dichlorohexyl)methanediimine;hydrochloride.
What is the SMILES notation for N'-(6,6-dichlorohexyl)methanediimine;hydrochloride?
The canonical SMILES for N'-(6,6-dichlorohexyl)methanediimine;hydrochloride is Cl.N=C=NCCCCCC(Cl)Cl.
What is the InChIKey of N'-(6,6-dichlorohexyl)methanediimine;hydrochloride?
The InChIKey is OCOIWRBQFWEHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2N2.ClH/c8-7(9)4-2-1-3-5-11-6-10;/h7,10H,1-5H2;1H.
What are the key properties of N'-(6,6-dichlorohexyl)methanediimine;hydrochloride?
N'-(6,6-dichlorohexyl)methanediimine;hydrochloride has a molecular weight of 231.55 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6,6-dichlorohexyl)methanediimine;hydrochloride is sourced from PubChem (CID 162330492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).