1-amino-2-butylguanidine;hydroiodide

C5H15IN4 — CID 20536312

IUPAC1-amino-2-butylguanidine;hydroiodide
SMILESCCCC/N=C(\N)NN.I
InChIInChI=1S/C5H14N4.HI/c1-2-3-4-8-5(6)9-7;/h2-4,7H2,1H3,(H3,6,8,9);1H
InChIKeyRLMGCWLYKZGMKC-UHFFFAOYSA-N
MW258.11 g/mol
LogP0.18
Rot. Bonds3

About 1-amino-2-butylguanidine;hydroiodide

1-amino-2-butylguanidine;hydroiodide (PubChem CID 20536312) has the molecular formula C5H15IN4 and a molecular weight of 258.11 g/mol. Its IUPAC name is 1-amino-2-butylguanidine;hydroiodide.

Molecular Properties

Compound Name1-amino-2-butylguanidine;hydroiodide
PubChem CID20536312
Molecular FormulaC5H15IN4
Molecular Weight258.11 g/mol
Exact Mass258.03
IUPAC Name1-amino-2-butylguanidine;hydroiodide
SMILESCCCC/N=C(\N)NN.I
InChIInChI=1S/C5H14N4.HI/c1-2-3-4-8-5(6)9-7;/h2-4,7H2,1H3,(H3,6,8,9);1H
InChIKeyRLMGCWLYKZGMKC-UHFFFAOYSA-N
XLogP0.18
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 50.18
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-butylguanidine;hydroiodide?
The IUPAC name of 1-amino-2-butylguanidine;hydroiodide (CID 20536312) is 1-amino-2-butylguanidine;hydroiodide.
What is the SMILES notation for 1-amino-2-butylguanidine;hydroiodide?
The canonical SMILES for 1-amino-2-butylguanidine;hydroiodide is CCCC/N=C(\N)NN.I.
What is the InChIKey of 1-amino-2-butylguanidine;hydroiodide?
The InChIKey is RLMGCWLYKZGMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4.HI/c1-2-3-4-8-5(6)9-7;/h2-4,7H2,1H3,(H3,6,8,9);1H.
What are the key properties of 1-amino-2-butylguanidine;hydroiodide?
1-amino-2-butylguanidine;hydroiodide has a molecular weight of 258.11 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-butylguanidine;hydroiodide is sourced from PubChem (CID 20536312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).