2-butyl-1,1-dimethylguanidine;hydroiodide

C7H18IN3 — CID 130748355

IUPAC2-butyl-1,1-dimethylguanidine;hydroiodide
SMILESCCCC/N=C(\N)N(C)C.I
InChIInChI=1S/C7H17N3.HI/c1-4-5-6-9-7(8)10(2)3;/h4-6H2,1-3H3,(H2,8,9);1H
InChIKeyQFABUAUZYOFOOB-UHFFFAOYSA-N
MW271.15 g/mol
LogP1.28
Rot. Bonds3

About 2-butyl-1,1-dimethylguanidine;hydroiodide

2-butyl-1,1-dimethylguanidine;hydroiodide (PubChem CID 130748355) has the molecular formula C7H18IN3 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-butyl-1,1-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-butyl-1,1-dimethylguanidine;hydroiodide
PubChem CID130748355
Molecular FormulaC7H18IN3
Molecular Weight271.15 g/mol
Exact Mass271.05
IUPAC Name2-butyl-1,1-dimethylguanidine;hydroiodide
SMILESCCCC/N=C(\N)N(C)C.I
InChIInChI=1S/C7H17N3.HI/c1-4-5-6-9-7(8)10(2)3;/h4-6H2,1-3H3,(H2,8,9);1H
InChIKeyQFABUAUZYOFOOB-UHFFFAOYSA-N
XLogP1.28
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

ethyl 2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoate
CID 176570974
2-[(N'-dodecylcarbamimidoyl)-methylamino]acetic acid
CID 87453757
1,2-dibutyl-1-carbamimidoylguanidine
CID 71332601
2-(2-cyanoethyl)-1,1-dimethylguanidine
CID 130979413
1,1,3,3-tetramethyl-2-octadecylguanidine
CID 153446328
2-decyl-1,1,3,3-tetramethylguanidine
CID 13127985
1-butyl-1-ethyl-2-propylguanidine
CID 62360301
tributyl-(N'-butyl-N,N-dimethylcarbamimidoyl)azanium
CID 163212745
2-ethyl-1,1-dimethylguanidine;sulfuric acid
CID 88796918
methyl N'-hexylcarbamimidothioate
CID 157360407
N'-pentylpropanimidamide
CID 62047571
5-[[amino-(dioctadecylamino)methylidene]amino]pentanamide
CID 139836174

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,1-dimethylguanidine;hydroiodide?
The IUPAC name of 2-butyl-1,1-dimethylguanidine;hydroiodide (CID 130748355) is 2-butyl-1,1-dimethylguanidine;hydroiodide.
What is the SMILES notation for 2-butyl-1,1-dimethylguanidine;hydroiodide?
The canonical SMILES for 2-butyl-1,1-dimethylguanidine;hydroiodide is CCCC/N=C(\N)N(C)C.I.
What is the InChIKey of 2-butyl-1,1-dimethylguanidine;hydroiodide?
The InChIKey is QFABUAUZYOFOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3.HI/c1-4-5-6-9-7(8)10(2)3;/h4-6H2,1-3H3,(H2,8,9);1H.
What are the key properties of 2-butyl-1,1-dimethylguanidine;hydroiodide?
2-butyl-1,1-dimethylguanidine;hydroiodide has a molecular weight of 271.15 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,1-dimethylguanidine;hydroiodide is sourced from PubChem (CID 130748355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).