N'-(1,3-dichlorohexyl)methanediimine;hydrochloride

C7H13Cl3N2 — CID 22902060

IUPACN'-(1,3-dichlorohexyl)methanediimine;hydrochloride
SMILESCCCC(Cl)CC(Cl)N=C=N.Cl
InChIInChI=1S/C7H12Cl2N2.ClH/c1-2-3-6(8)4-7(9)11-5-10;/h6-7,10H,2-4H2,1H3;1H
InChIKeyACDIVFDCEVDIGJ-UHFFFAOYSA-N
MW231.55 g/mol
LogP3.52
Rot. Bonds5

About N'-(1,3-dichlorohexyl)methanediimine;hydrochloride

N'-(1,3-dichlorohexyl)methanediimine;hydrochloride (PubChem CID 22902060) has the molecular formula C7H13Cl3N2 and a molecular weight of 231.55 g/mol. Its IUPAC name is N'-(1,3-dichlorohexyl)methanediimine;hydrochloride.

Molecular Properties

Compound NameN'-(1,3-dichlorohexyl)methanediimine;hydrochloride
PubChem CID22902060
Molecular FormulaC7H13Cl3N2
Molecular Weight231.55 g/mol
Exact Mass230.01
IUPAC NameN'-(1,3-dichlorohexyl)methanediimine;hydrochloride
SMILESCCCC(Cl)CC(Cl)N=C=N.Cl
InChIInChI=1S/C7H12Cl2N2.ClH/c1-2-3-6(8)4-7(9)11-5-10;/h6-7,10H,2-4H2,1H3;1H
InChIKeyACDIVFDCEVDIGJ-UHFFFAOYSA-N
XLogP3.52
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,3-dichloro-1-(1,3-dichlorohexoxy)hexane
CID 56996879
N'-(9-propylpentadecan-7-yl)methanediimine
CID 151599295
N'-(dichloromethyl)methanediimine
CID 150248858
CID 150721526
CID 150721526
2,5-dichlorooctane
CID 56987607
1-chloro-1-nitrosobutane
CID 91441735
1,2,5-trichlorooctane
CID 20749063
6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride
CID 173284113
2-chloro-4-methylheptan-1-ol
CID 175124867
(4R)-4-chloro-2-iodohept-1-ene
CID 154992040
4-chloropentadecane
CID 63459834
4-chlorotridecane
CID 63460920

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dichlorohexyl)methanediimine;hydrochloride?
The IUPAC name of N'-(1,3-dichlorohexyl)methanediimine;hydrochloride (CID 22902060) is N'-(1,3-dichlorohexyl)methanediimine;hydrochloride.
What is the SMILES notation for N'-(1,3-dichlorohexyl)methanediimine;hydrochloride?
The canonical SMILES for N'-(1,3-dichlorohexyl)methanediimine;hydrochloride is CCCC(Cl)CC(Cl)N=C=N.Cl.
What is the InChIKey of N'-(1,3-dichlorohexyl)methanediimine;hydrochloride?
The InChIKey is ACDIVFDCEVDIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2N2.ClH/c1-2-3-6(8)4-7(9)11-5-10;/h6-7,10H,2-4H2,1H3;1H.
What are the key properties of N'-(1,3-dichlorohexyl)methanediimine;hydrochloride?
N'-(1,3-dichlorohexyl)methanediimine;hydrochloride has a molecular weight of 231.55 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dichlorohexyl)methanediimine;hydrochloride is sourced from PubChem (CID 22902060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).