2-(N'-butylcarbamimidoyl)-1,1-dimethylguanidine

C8H19N5 — CID 53307487

IUPAC2-(N'-butylcarbamimidoyl)-1,1-dimethylguanidine
SMILESCCCC/N=C(N)/N=C(\N)N(C)C
InChIInChI=1S/C8H19N5/c1-4-5-6-11-7(9)12-8(10)13(2)3/h4-6H2,1-3H3,(H4,9,10,11,12)
InChIKeyAYDMIDIFMXDEOX-UHFFFAOYSA-N
MW185.28 g/mol
LogP-0.02
Rot. Bonds3

About 2-(N'-butylcarbamimidoyl)-1,1-dimethylguanidine

2-(N'-butylcarbamimidoyl)-1,1-dimethylguanidine (PubChem CID 53307487) has the molecular formula C8H19N5 and a molecular weight of 185.28 g/mol. Its IUPAC name is 2-(N'-butylcarbamimidoyl)-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-(N'-butylcarbamimidoyl)-1,1-dimethylguanidine
PubChem CID53307487
Molecular FormulaC8H19N5
Molecular Weight185.28 g/mol
Exact Mass185.16
IUPAC Name2-(N'-butylcarbamimidoyl)-1,1-dimethylguanidine
SMILESCCCC/N=C(N)/N=C(\N)N(C)C
InChIInChI=1S/C8H19N5/c1-4-5-6-11-7(9)12-8(10)13(2)3/h4-6H2,1-3H3,(H4,9,10,11,12)
InChIKeyAYDMIDIFMXDEOX-UHFFFAOYSA-N
XLogP-0.02
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.28
LogP ≤ 5-0.02
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(N'-butylcarbamimidoyl)-1,1-dimethylguanidine?
The IUPAC name of 2-(N'-butylcarbamimidoyl)-1,1-dimethylguanidine (CID 53307487) is 2-(N'-butylcarbamimidoyl)-1,1-dimethylguanidine.
What is the SMILES notation for 2-(N'-butylcarbamimidoyl)-1,1-dimethylguanidine?
The canonical SMILES for 2-(N'-butylcarbamimidoyl)-1,1-dimethylguanidine is CCCC/N=C(N)/N=C(\N)N(C)C.
What is the InChIKey of 2-(N'-butylcarbamimidoyl)-1,1-dimethylguanidine?
The InChIKey is AYDMIDIFMXDEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5/c1-4-5-6-11-7(9)12-8(10)13(2)3/h4-6H2,1-3H3,(H4,9,10,11,12).
What are the key properties of 2-(N'-butylcarbamimidoyl)-1,1-dimethylguanidine?
2-(N'-butylcarbamimidoyl)-1,1-dimethylguanidine has a molecular weight of 185.28 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-butylcarbamimidoyl)-1,1-dimethylguanidine is sourced from PubChem (CID 53307487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).