1-tert-butyl-3-[2-(3,5-dichlorophenyl)ethyl]-2-methylguanidine;hydroiodide

C14H22Cl2IN3 — CID 110964836

IUPAC1-tert-butyl-3-[2-(3,5-dichlorophenyl)ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCCc1cc(Cl)cc(Cl)c1)NC(C)(C)C.I
InChIInChI=1S/C14H21Cl2N3.HI/c1-14(2,3)19-13(17-4)18-6-5-10-7-11(15)9-12(16)8-10;/h7-9H,5-6H2,1-4H3,(H2,17,18,19);1H
InChIKeyIDMIPMDVEBZFGO-UHFFFAOYSA-N
MW430.16 g/mol
LogP4.12
Rot. Bonds3

About 1-tert-butyl-3-[2-(3,5-dichlorophenyl)ethyl]-2-methylguanidine;hydroiodide

1-tert-butyl-3-[2-(3,5-dichlorophenyl)ethyl]-2-methylguanidine;hydroiodide (PubChem CID 110964836) has the molecular formula C14H22Cl2IN3 and a molecular weight of 430.16 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(3,5-dichlorophenyl)ethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(3,5-dichlorophenyl)ethyl]-2-methylguanidine;hydroiodide
PubChem CID110964836
Molecular FormulaC14H22Cl2IN3
Molecular Weight430.16 g/mol
Exact Mass429.02
IUPAC Name1-tert-butyl-3-[2-(3,5-dichlorophenyl)ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCCc1cc(Cl)cc(Cl)c1)NC(C)(C)C.I
InChIInChI=1S/C14H21Cl2N3.HI/c1-14(2,3)19-13(17-4)18-6-5-10-7-11(15)9-12(16)8-10;/h7-9H,5-6H2,1-4H3,(H2,17,18,19);1H
InChIKeyIDMIPMDVEBZFGO-UHFFFAOYSA-N
XLogP4.12
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.16
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-tert-butyl-3-[2-(4-ethylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111547288
1-tert-butyl-3-[2-(2-chlorophenyl)ethyl]-2-methylguanidine
CID 110967304
1-tert-butyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 110965810
N-[4-[2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]ethyl]phenyl]acetamide;hydroiodide
CID 110965082
1-[2-(3,5-dichlorophenyl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111236534
1-[2-(3,5-dichlorophenyl)ethyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137233
1-[2-(3,5-dichlorophenyl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968299
N-tert-butyl-2-[[N-[2-(3,5-dimethylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111649380
1-tert-butyl-3-(3,3-dimethylbutyl)-2-methylguanidine;hydroiodide
CID 110966837
1-tert-butyl-3-[3-(2-chlorophenyl)propyl]-2-methylguanidine
CID 111547129
1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 110914009
1-tert-butyl-3-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylguanidine
CID 109391216

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(3,5-dichlorophenyl)ethyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-3-[2-(3,5-dichlorophenyl)ethyl]-2-methylguanidine;hydroiodide (CID 110964836) is 1-tert-butyl-3-[2-(3,5-dichlorophenyl)ethyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-3-[2-(3,5-dichlorophenyl)ethyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-3-[2-(3,5-dichlorophenyl)ethyl]-2-methylguanidine;hydroiodide is C/N=C(/NCCc1cc(Cl)cc(Cl)c1)NC(C)(C)C.I.
What is the InChIKey of 1-tert-butyl-3-[2-(3,5-dichlorophenyl)ethyl]-2-methylguanidine;hydroiodide?
The InChIKey is IDMIPMDVEBZFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3.HI/c1-14(2,3)19-13(17-4)18-6-5-10-7-11(15)9-12(16)8-10;/h7-9H,5-6H2,1-4H3,(H2,17,18,19);1H.
What are the key properties of 1-tert-butyl-3-[2-(3,5-dichlorophenyl)ethyl]-2-methylguanidine;hydroiodide?
1-tert-butyl-3-[2-(3,5-dichlorophenyl)ethyl]-2-methylguanidine;hydroiodide has a molecular weight of 430.16 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(3,5-dichlorophenyl)ethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110964836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).