[amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium chloride

C10H24ClN5 — CID 169428159

IUPAC[amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium chloride
SMILESCCCC/N=C(\N)N/C(N)=[NH+]/CCCC.[Cl-]
InChIInChI=1S/C10H23N5.ClH/c1-3-5-7-13-9(11)15-10(12)14-8-6-4-2;/h3-8H2,1-2H3,(H5,11,12,13,14,15);1H
InChIKeyWVVNGZUFWRJEMF-UHFFFAOYSA-N
MW249.79 g/mol
LogP-4.11
Rot. Bonds6

About [amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium chloride

[amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium chloride (PubChem CID 169428159) has the molecular formula C10H24ClN5 and a molecular weight of 249.79 g/mol. Its IUPAC name is [amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium chloride.

Molecular Properties

Compound Name[amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium chloride
PubChem CID169428159
Molecular FormulaC10H24ClN5
Molecular Weight249.79 g/mol
Exact Mass249.17
IUPAC Name[amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium chloride
SMILESCCCC/N=C(\N)N/C(N)=[NH+]/CCCC.[Cl-]
InChIInChI=1S/C10H23N5.ClH/c1-3-5-7-13-9(11)15-10(12)14-8-6-4-2;/h3-8H2,1-2H3,(H5,11,12,13,14,15);1H
InChIKeyWVVNGZUFWRJEMF-UHFFFAOYSA-N
XLogP-4.11
TPSA90.40 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 5-4.11
H-Bond Donors ≤ 54
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'}

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Frequently Asked Questions

What is the IUPAC name of [amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium chloride?
The IUPAC name of [amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium chloride (CID 169428159) is [amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium chloride.
What is the SMILES notation for [amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium chloride?
The canonical SMILES for [amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium chloride is CCCC/N=C(\N)N/C(N)=[NH+]/CCCC.[Cl-].
What is the InChIKey of [amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium chloride?
The InChIKey is WVVNGZUFWRJEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5.ClH/c1-3-5-7-13-9(11)15-10(12)14-8-6-4-2;/h3-8H2,1-2H3,(H5,11,12,13,14,15);1H.
What are the key properties of [amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium chloride?
[amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium chloride has a molecular weight of 249.79 g/mol, XLogP of -4.11, 6 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium chloride is sourced from PubChem (CID 169428159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).