2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride

C7H17ClN6O — CID 176524968

IUPAC2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
SMILESCl.N#CO.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C6H15N5.CHNO.ClH/c1-2-3-4-10-6(9)11-5(7)8;2-1-3;/h2-4H2,1H3,(H6,7,8,9,10,11);3H;1H
InChIKeyRWNQIECDZMFAMR-UHFFFAOYSA-N
MW236.71 g/mol
LogP-0.15
Rot. Bonds3

About 2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride

2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride (PubChem CID 176524968) has the molecular formula C7H17ClN6O and a molecular weight of 236.71 g/mol. Its IUPAC name is 2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride.

Molecular Properties

Compound Name2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
PubChem CID176524968
Molecular FormulaC7H17ClN6O
Molecular Weight236.71 g/mol
Exact Mass236.12
IUPAC Name2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
SMILESCl.N#CO.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C6H15N5.CHNO.ClH/c1-2-3-4-10-6(9)11-5(7)8;2-1-3;/h2-4H2,1H3,(H6,7,8,9,10,11);3H;1H
InChIKeyRWNQIECDZMFAMR-UHFFFAOYSA-N
XLogP-0.15
TPSA144.30 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 5-0.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
CID 176522224
CID 176522224
1-carbamimidoyl-2-hexylguanidine
CID 176518657
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176521105
2-butyl-1-carbamimidoylguanidine;oxetane;hydrochloride
CID 176532485
2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride
CID 176536553
(E)-but-2-enedioic acid;2-butyl-1-carbamimidoylguanidine
CID 176533786
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
benzene-1,3-diamine;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176543735
[1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176537270
2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride
CID 176531380

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride?
The IUPAC name of 2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride (CID 176524968) is 2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride.
What is the SMILES notation for 2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride?
The canonical SMILES for 2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride is Cl.N#CO.[H]/N=C(\N)N/C(N)=N/CCCC.
What is the InChIKey of 2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride?
The InChIKey is RWNQIECDZMFAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5.CHNO.ClH/c1-2-3-4-10-6(9)11-5(7)8;2-1-3;/h2-4H2,1H3,(H6,7,8,9,10,11);3H;1H.
What are the key properties of 2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride?
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride has a molecular weight of 236.71 g/mol, XLogP of -0.15, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride is sourced from PubChem (CID 176524968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).