acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride

C8H19Cl2N5O — CID 176521105

IUPACacetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
SMILESCC(=O)Cl.Cl.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C6H15N5.C2H3ClO.ClH/c1-2-3-4-10-6(9)11-5(7)8;1-2(3)4;/h2-4H2,1H3,(H6,7,8,9,10,11);1H3;1H
InChIKeyQPHZXISMFJZNCB-UHFFFAOYSA-N
MW272.18 g/mol
LogP0.78
Rot. Bonds3

About acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride

acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride (PubChem CID 176521105) has the molecular formula C8H19Cl2N5O and a molecular weight of 272.18 g/mol. Its IUPAC name is acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride.

Molecular Properties

Compound Nameacetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
PubChem CID176521105
Molecular FormulaC8H19Cl2N5O
Molecular Weight272.18 g/mol
Exact Mass271.10
IUPAC Nameacetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
SMILESCC(=O)Cl.Cl.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C6H15N5.C2H3ClO.ClH/c1-2-3-4-10-6(9)11-5(7)8;1-2(3)4;/h2-4H2,1H3,(H6,7,8,9,10,11);1H3;1H
InChIKeyQPHZXISMFJZNCB-UHFFFAOYSA-N
XLogP0.78
TPSA117.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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
2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride
CID 176536553
(E)-but-2-enedioic acid;2-butyl-1-carbamimidoylguanidine
CID 176533786
CID 176522224
CID 176522224
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
1-carbamimidoyl-2-hexylguanidine
CID 176518657
2-butyl-1-carbamimidoylguanidine;oxetane;hydrochloride
CID 176532485
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 acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride?
The IUPAC name of acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride (CID 176521105) is acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride.
What is the SMILES notation for acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride?
The canonical SMILES for acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride is CC(=O)Cl.Cl.[H]/N=C(\N)N/C(N)=N/CCCC.
What is the InChIKey of acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride?
The InChIKey is QPHZXISMFJZNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5.C2H3ClO.ClH/c1-2-3-4-10-6(9)11-5(7)8;1-2(3)4;/h2-4H2,1H3,(H6,7,8,9,10,11);1H3;1H.
What are the key properties of acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride?
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride has a molecular weight of 272.18 g/mol, XLogP of 0.78, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride is sourced from PubChem (CID 176521105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).