[(N'-butylcarbamimidoyl)-methylazaniumyl]azanide

C6H16N4 — CID 163987125

IUPAC[(N'-butylcarbamimidoyl)-methylazaniumyl]azanide
SMILESCCCC/N=C(\N)[NH+](C)[NH-]
InChIInChI=1S/C6H16N4/c1-3-4-5-9-6(7)10(2)8/h8,10H,3-5H2,1-2H3,(H2,7,9)
InChIKeyTXIHBQXVIAFIBI-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.42
Rot. Bonds3

About [(N'-butylcarbamimidoyl)-methylazaniumyl]azanide

[(N'-butylcarbamimidoyl)-methylazaniumyl]azanide (PubChem CID 163987125) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is [(N'-butylcarbamimidoyl)-methylazaniumyl]azanide.

Molecular Properties

Compound Name[(N'-butylcarbamimidoyl)-methylazaniumyl]azanide
PubChem CID163987125
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name[(N'-butylcarbamimidoyl)-methylazaniumyl]azanide
SMILESCCCC/N=C(\N)[NH+](C)[NH-]
InChIInChI=1S/C6H16N4/c1-3-4-5-9-6(7)10(2)8/h8,10H,3-5H2,1-2H3,(H2,7,9)
InChIKeyTXIHBQXVIAFIBI-UHFFFAOYSA-N
XLogP-0.42
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Amino-2,3-di(propan-2-yl)guanidine
CID 12159619
1-Amino-2,3-diethylguanidine
CID 18960692
1-Amino-2-ethyl-3-propan-2-ylguanidine
CID 19743615
1-Amino-2-methyl-3-pentylguanidine
CID 88271016
1-(Butylamino)-2-methylguanidine
CID 88908544
1-Amino-3-propan-2-yl-2-propylguanidine
CID 89408095
1-Amino-3-ethyl-2-methylguanidine
CID 121599471
1-Amino-2-butyl-3-(2-methylhydrazinyl)guanidine
CID 152411829
[Amino(hydrazinyl)methylidene]-butylazanium
CID 160652330
1-Amino-2,3-dipropylguanidine
CID 55280464
1-Amino-2-[4-(dimethylamino)butyl]guanidine
CID 64866669
1-Amino-3-(2,2-dimethylpropyl)-2-methylguanidine
CID 104882052

Frequently Asked Questions

What is the IUPAC name of [(N'-butylcarbamimidoyl)-methylazaniumyl]azanide?
The IUPAC name of [(N'-butylcarbamimidoyl)-methylazaniumyl]azanide (CID 163987125) is [(N'-butylcarbamimidoyl)-methylazaniumyl]azanide.
What is the SMILES notation for [(N'-butylcarbamimidoyl)-methylazaniumyl]azanide?
The canonical SMILES for [(N'-butylcarbamimidoyl)-methylazaniumyl]azanide is CCCC/N=C(\N)[NH+](C)[NH-].
What is the InChIKey of [(N'-butylcarbamimidoyl)-methylazaniumyl]azanide?
The InChIKey is TXIHBQXVIAFIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4/c1-3-4-5-9-6(7)10(2)8/h8,10H,3-5H2,1-2H3,(H2,7,9).
What are the key properties of [(N'-butylcarbamimidoyl)-methylazaniumyl]azanide?
[(N'-butylcarbamimidoyl)-methylazaniumyl]azanide has a molecular weight of 144.22 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(N'-butylcarbamimidoyl)-methylazaniumyl]azanide is sourced from PubChem (CID 163987125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).