1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide

C15H25ClIN3 — CID 111100253

IUPAC1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide
SMILESCC(C)(C)N/C(N)=N/CC(C)(C)c1ccccc1Cl.I
InChIInChI=1S/C15H24ClN3.HI/c1-14(2,3)19-13(17)18-10-15(4,5)11-8-6-7-9-12(11)16;/h6-9H,10H2,1-5H3,(H3,17,18,19);1H
InChIKeyGZFGQAXMJHAKCV-UHFFFAOYSA-N
MW409.74 g/mol
LogP3.94
Rot. Bonds3

About 1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide

1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide (PubChem CID 111100253) has the molecular formula C15H25ClIN3 and a molecular weight of 409.74 g/mol. Its IUPAC name is 1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide
PubChem CID111100253
Molecular FormulaC15H25ClIN3
Molecular Weight409.74 g/mol
Exact Mass409.08
IUPAC Name1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide
SMILESCC(C)(C)N/C(N)=N/CC(C)(C)c1ccccc1Cl.I
InChIInChI=1S/C15H24ClN3.HI/c1-14(2,3)19-13(17)18-10-15(4,5)11-8-6-7-9-12(11)16;/h6-9H,10H2,1-5H3,(H3,17,18,19);1H
InChIKeyGZFGQAXMJHAKCV-UHFFFAOYSA-N
XLogP3.94
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.74
LogP ≤ 53.94
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-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide
CID 110061971
2-[2-(2-chlorophenyl)-2-methylpropyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111100275
1-tert-butyl-2-[2-(2-chlorophenyl)ethyl]guanidine
CID 111044364
N'-[2-(2-chlorophenyl)-2-methylpropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111100273
1-tert-butyl-2-[2-(4-fluorophenyl)-2-methylpropyl]guanidine
CID 111101349
2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-hexylguanidine;hydroiodide
CID 110061981
1-tert-butyl-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
CID 111089683
1-tert-butyl-2-[2-(2-chlorophenoxy)propyl]guanidine
CID 111821492
2-[2-(2-chlorophenyl)-2-hydroxypropyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 110061965
2-[2-(2-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110942065
3-[[amino-(tert-butylamino)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide;hydroiodide
CID 111092419
1-tert-butyl-2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111054726

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide (CID 111100253) is 1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide is CC(C)(C)N/C(N)=N/CC(C)(C)c1ccccc1Cl.I.
What is the InChIKey of 1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide?
The InChIKey is GZFGQAXMJHAKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3.HI/c1-14(2,3)19-13(17)18-10-15(4,5)11-8-6-7-9-12(11)16;/h6-9H,10H2,1-5H3,(H3,17,18,19);1H.
What are the key properties of 1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide?
1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide has a molecular weight of 409.74 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[2-(2-chlorophenyl)-2-methylpropyl]guanidine;hydroiodide is sourced from PubChem (CID 111100253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).