2-[2-[butyl(methyl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide

C15H27IN4 — CID 111802291

IUPAC2-[2-[butyl(methyl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide
SMILESCCCCN(C)CC/N=C(\N)Nc1cccc(C)c1.I
InChIInChI=1S/C15H26N4.HI/c1-4-5-10-19(3)11-9-17-15(16)18-14-8-6-7-13(2)12-14;/h6-8,12H,4-5,9-11H2,1-3H3,(H3,16,17,18);1H
InChIKeyQUJTXOCXVUFOPJ-UHFFFAOYSA-N
MW390.31 g/mol
LogP3.07
Rot. Bonds7

About 2-[2-[butyl(methyl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide

2-[2-[butyl(methyl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide (PubChem CID 111802291) has the molecular formula C15H27IN4 and a molecular weight of 390.31 g/mol. Its IUPAC name is 2-[2-[butyl(methyl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[butyl(methyl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide
PubChem CID111802291
Molecular FormulaC15H27IN4
Molecular Weight390.31 g/mol
Exact Mass390.13
IUPAC Name2-[2-[butyl(methyl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide
SMILESCCCCN(C)CC/N=C(\N)Nc1cccc(C)c1.I
InChIInChI=1S/C15H26N4.HI/c1-4-5-10-19(3)11-9-17-15(16)18-14-8-6-7-13(2)12-14;/h6-8,12H,4-5,9-11H2,1-3H3,(H3,16,17,18);1H
InChIKeyQUJTXOCXVUFOPJ-UHFFFAOYSA-N
XLogP3.07
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 53.07
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

2-butyl-1-(3-methylphenyl)guanidine;hydroiodide
CID 111023150
2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111066540
2-hexyl-1-(3-methylphenyl)guanidine
CID 111023793
1-(3-methylphenyl)-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 111066442
2-[2-[ethyl(propan-2-yl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111096387
2-[2-(2-butoxyethoxy)ethyl]-1-(3-methylphenyl)guanidine
CID 111821799
2-(3-hydroxypropyl)-1-(3-methylphenyl)guanidine
CID 111023654
2-[3-[di(propan-2-yl)amino]propyl]-1-(3-methylphenyl)guanidine
CID 111821723
3-[[amino-(3-methylanilino)methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111068179
1-(3,5-dimethylphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine
CID 111085735
1-(3-methylphenyl)-2-(2-phenylethyl)guanidine;hydroiodide
CID 111022869
1-(3-methylphenyl)-2-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]guanidine;hydroiodide
CID 119942640

Frequently Asked Questions

What is the IUPAC name of 2-[2-[butyl(methyl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-[butyl(methyl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide (CID 111802291) is 2-[2-[butyl(methyl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-[butyl(methyl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-[butyl(methyl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide is CCCCN(C)CC/N=C(\N)Nc1cccc(C)c1.I.
What is the InChIKey of 2-[2-[butyl(methyl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide?
The InChIKey is QUJTXOCXVUFOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4.HI/c1-4-5-10-19(3)11-9-17-15(16)18-14-8-6-7-13(2)12-14;/h6-8,12H,4-5,9-11H2,1-3H3,(H3,16,17,18);1H.
What are the key properties of 2-[2-[butyl(methyl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide?
2-[2-[butyl(methyl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide has a molecular weight of 390.31 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[butyl(methyl)amino]ethyl]-1-(3-methylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111802291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).