1-[2-amino-1-(2,6-dichlorophenyl)ethyl]-1,2-dimethylguanidine;hydroiodide

C11H17Cl2IN4 — CID 70620732

IUPAC1-[2-amino-1-(2,6-dichlorophenyl)ethyl]-1,2-dimethylguanidine;hydroiodide
SMILESC/N=C(\N)N(C)C(CN)c1c(Cl)cccc1Cl.I
InChIInChI=1S/C11H16Cl2N4.HI/c1-16-11(15)17(2)9(6-14)10-7(12)4-3-5-8(10)13;/h3-5,9H,6,14H2,1-2H3,(H2,15,16);1H
InChIKeyYDPUUZWUKYKAKZ-UHFFFAOYSA-N
MW403.10 g/mol
LogP2.49
Rot. Bonds3

About 1-[2-amino-1-(2,6-dichlorophenyl)ethyl]-1,2-dimethylguanidine;hydroiodide

1-[2-amino-1-(2,6-dichlorophenyl)ethyl]-1,2-dimethylguanidine;hydroiodide (PubChem CID 70620732) has the molecular formula C11H17Cl2IN4 and a molecular weight of 403.10 g/mol. Its IUPAC name is 1-[2-amino-1-(2,6-dichlorophenyl)ethyl]-1,2-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-amino-1-(2,6-dichlorophenyl)ethyl]-1,2-dimethylguanidine;hydroiodide
PubChem CID70620732
Molecular FormulaC11H17Cl2IN4
Molecular Weight403.10 g/mol
Exact Mass401.99
IUPAC Name1-[2-amino-1-(2,6-dichlorophenyl)ethyl]-1,2-dimethylguanidine;hydroiodide
SMILESC/N=C(\N)N(C)C(CN)c1c(Cl)cccc1Cl.I
InChIInChI=1S/C11H16Cl2N4.HI/c1-16-11(15)17(2)9(6-14)10-7(12)4-3-5-8(10)13;/h3-5,9H,6,14H2,1-2H3,(H2,15,16);1H
InChIKeyYDPUUZWUKYKAKZ-UHFFFAOYSA-N
XLogP2.49
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.10
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorophenyl)-phenylmethyl]-1,2-dimethylguanidine
CID 174313948
1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63980732
1-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 63465958
N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991984
tert-butyl N-[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]-N-methylcarbamate
CID 82023515
1-(2-chloro-6-methoxyphenyl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 104816241
3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83924924
1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438741
1-(2,6-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43110178
1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564737
1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63464689
1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271044

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(2,6-dichlorophenyl)ethyl]-1,2-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[2-amino-1-(2,6-dichlorophenyl)ethyl]-1,2-dimethylguanidine;hydroiodide (CID 70620732) is 1-[2-amino-1-(2,6-dichlorophenyl)ethyl]-1,2-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-amino-1-(2,6-dichlorophenyl)ethyl]-1,2-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[2-amino-1-(2,6-dichlorophenyl)ethyl]-1,2-dimethylguanidine;hydroiodide is C/N=C(\N)N(C)C(CN)c1c(Cl)cccc1Cl.I.
What is the InChIKey of 1-[2-amino-1-(2,6-dichlorophenyl)ethyl]-1,2-dimethylguanidine;hydroiodide?
The InChIKey is YDPUUZWUKYKAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N4.HI/c1-16-11(15)17(2)9(6-14)10-7(12)4-3-5-8(10)13;/h3-5,9H,6,14H2,1-2H3,(H2,15,16);1H.
What are the key properties of 1-[2-amino-1-(2,6-dichlorophenyl)ethyl]-1,2-dimethylguanidine;hydroiodide?
1-[2-amino-1-(2,6-dichlorophenyl)ethyl]-1,2-dimethylguanidine;hydroiodide has a molecular weight of 403.10 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(2,6-dichlorophenyl)ethyl]-1,2-dimethylguanidine;hydroiodide is sourced from PubChem (CID 70620732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).