1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine

C12H19IN4 — CID 114258213

IUPAC1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine
SMILESCCCC/N=C(\NN)Nc1cc(I)ccc1C
InChIInChI=1S/C12H19IN4/c1-3-4-7-15-12(17-14)16-11-8-10(13)6-5-9(11)2/h5-6,8H,3-4,7,14H2,1-2H3,(H2,15,16,17)
InChIKeyHYIXBLNUEPPAMA-UHFFFAOYSA-N
MW346.22 g/mol
LogP2.63
Rot. Bonds4

About 1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine

1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine (PubChem CID 114258213) has the molecular formula C12H19IN4 and a molecular weight of 346.22 g/mol. Its IUPAC name is 1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine
PubChem CID114258213
Molecular FormulaC12H19IN4
Molecular Weight346.22 g/mol
Exact Mass346.07
IUPAC Name1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine
SMILESCCCC/N=C(\NN)Nc1cc(I)ccc1C
InChIInChI=1S/C12H19IN4/c1-3-4-7-15-12(17-14)16-11-8-10(13)6-5-9(11)2/h5-6,8H,3-4,7,14H2,1-2H3,(H2,15,16,17)
InChIKeyHYIXBLNUEPPAMA-UHFFFAOYSA-N
XLogP2.63
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine
CID 116515734
1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine
CID 107605066
1-amino-2-butyl-3-(2,4,5-trichlorophenyl)guanidine
CID 116511775
1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine
CID 116511440
1-amino-2-butyl-3-(2,4-dibromophenyl)guanidine
CID 116514777
2-ethyl-1-(5-iodo-2-methylphenyl)guanidine
CID 130498289
N-(5-iodo-2-methylphenyl)pentanamide
CID 130168054
1-amino-3-(2-bromo-4-fluorophenyl)-2-butylguanidine
CID 116512697
1-amino-3-(2,4-dimethylphenyl)-2-propylguanidine
CID 116512290
1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine
CID 116511806
1-amino-2-butyl-3-(1,3-dihydro-2-benzofuran-5-yl)guanidine
CID 114262951
1-amino-2-butyl-3-(4-methoxyphenyl)guanidine
CID 116511366

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine?
The IUPAC name of 1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine (CID 114258213) is 1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine.
What is the SMILES notation for 1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine?
The canonical SMILES for 1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine is CCCC/N=C(\NN)Nc1cc(I)ccc1C.
What is the InChIKey of 1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine?
The InChIKey is HYIXBLNUEPPAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN4/c1-3-4-7-15-12(17-14)16-11-8-10(13)6-5-9(11)2/h5-6,8H,3-4,7,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine?
1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine has a molecular weight of 346.22 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine is sourced from PubChem (CID 114258213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).