2-(2-anilino-3-methylbutyl)guanidine;hydroiodide

C12H21IN4 — CID 110915972

IUPAC2-(2-anilino-3-methylbutyl)guanidine;hydroiodide
SMILESCC(C)C(CN=C(N)N)Nc1ccccc1.I
InChIInChI=1S/C12H20N4.HI/c1-9(2)11(8-15-12(13)14)16-10-6-4-3-5-7-10;/h3-7,9,11,16H,8H2,1-2H3,(H4,13,14,15);1H
InChIKeyDFPAXCYLONCSHC-UHFFFAOYSA-N
MW348.23 g/mol
LogP2.01
Rot. Bonds5

About 2-(2-anilino-3-methylbutyl)guanidine;hydroiodide

2-(2-anilino-3-methylbutyl)guanidine;hydroiodide (PubChem CID 110915972) has the molecular formula C12H21IN4 and a molecular weight of 348.23 g/mol. Its IUPAC name is 2-(2-anilino-3-methylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-anilino-3-methylbutyl)guanidine;hydroiodide
PubChem CID110915972
Molecular FormulaC12H21IN4
Molecular Weight348.23 g/mol
Exact Mass348.08
IUPAC Name2-(2-anilino-3-methylbutyl)guanidine;hydroiodide
SMILESCC(C)C(CN=C(N)N)Nc1ccccc1.I
InChIInChI=1S/C12H20N4.HI/c1-9(2)11(8-15-12(13)14)16-10-6-4-3-5-7-10;/h3-7,9,11,16H,8H2,1-2H3,(H4,13,14,15);1H
InChIKeyDFPAXCYLONCSHC-UHFFFAOYSA-N
XLogP2.01
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 52.01
H-Bond Donors ≤ 53
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-(2-anilino-3-methylbutyl)-1-butylguanidine
CID 111041023
(2S)-3-methyl-2-N-phenylbutane-1,2-diamine
CID 25323651
2-(2-anilino-3-methylbutyl)-1-(3,4-dihydro-2H-chromen-4-yl)guanidine;hydroiodide
CID 111598079
2-anilino-N'-hydroxypropanimidamide
CID 77025272
4-acetyl-N'-(2-anilino-3-methylbutyl)-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963910
2-(2-anilino-3-methylbutyl)-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111895621
methyl 3-anilino-4-methylpentanoate
CID 86003942
methyl 2-anilinopropanoate
CID 3417283
1-(2-anilino-3-methylbutyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111226682
1-(2-anilino-3-methylbutyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109475000
2-anilinopropanoate
CID 19754798
(2R)-2-anilinopropanoate
CID 6946450

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-3-methylbutyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-anilino-3-methylbutyl)guanidine;hydroiodide (CID 110915972) is 2-(2-anilino-3-methylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-anilino-3-methylbutyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-anilino-3-methylbutyl)guanidine;hydroiodide is CC(C)C(CN=C(N)N)Nc1ccccc1.I.
What is the InChIKey of 2-(2-anilino-3-methylbutyl)guanidine;hydroiodide?
The InChIKey is DFPAXCYLONCSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4.HI/c1-9(2)11(8-15-12(13)14)16-10-6-4-3-5-7-10;/h3-7,9,11,16H,8H2,1-2H3,(H4,13,14,15);1H.
What are the key properties of 2-(2-anilino-3-methylbutyl)guanidine;hydroiodide?
2-(2-anilino-3-methylbutyl)guanidine;hydroiodide has a molecular weight of 348.23 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-3-methylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 110915972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).