2-butyl-1-carbamimidoyl-3-ethylguanidine

C8H19N5 — CID 176518606

IUPAC2-butyl-1-carbamimidoyl-3-ethylguanidine
SMILES[H]/N=C(\N)N/C(=N/CCCC)NCC
InChIInChI=1S/C8H19N5/c1-3-5-6-12-8(11-4-2)13-7(9)10/h3-6H2,1-2H3,(H5,9,10,11,12,13)
InChIKeyKREZRKULMRIOKR-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.24
Rot. Bonds4

About 2-butyl-1-carbamimidoyl-3-ethylguanidine

2-butyl-1-carbamimidoyl-3-ethylguanidine (PubChem CID 176518606) has the molecular formula C8H19N5 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-butyl-1-carbamimidoyl-3-ethylguanidine.

Molecular Properties

Compound Name2-butyl-1-carbamimidoyl-3-ethylguanidine
PubChem CID176518606
Molecular FormulaC8H19N5
Molecular Weight185.27 g/mol
Exact Mass185.16
IUPAC Name2-butyl-1-carbamimidoyl-3-ethylguanidine
SMILES[H]/N=C(\N)N/C(=N/CCCC)NCC
InChIInChI=1S/C8H19N5/c1-3-5-6-12-8(11-4-2)13-7(9)10/h3-6H2,1-2H3,(H5,9,10,11,12,13)
InChIKeyKREZRKULMRIOKR-UHFFFAOYSA-N
XLogP0.24
TPSA86.29 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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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Related Compounds

2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
1-butyl-3-carbamimidoyl-2-propylguanidine;nitric acid
CID 176523620
1-carbamimidoyl-2-hexylguanidine
CID 176518657
1-butyl-3-carbamimidoyl-2-methylguanidine
CID 176533702
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
CID 176522224
CID 176522224
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176521105
2-butyl-1-carbamimidoylguanidine;oxetane;hydrochloride
CID 176532485
(E)-but-2-enedioic acid;2-butyl-1-carbamimidoylguanidine
CID 176533786
2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride
CID 176536553
2-aminoacetic acid;2-butyl-1,3-diethylguanidine
CID 170732226

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-carbamimidoyl-3-ethylguanidine?
The IUPAC name of 2-butyl-1-carbamimidoyl-3-ethylguanidine (CID 176518606) is 2-butyl-1-carbamimidoyl-3-ethylguanidine.
What is the SMILES notation for 2-butyl-1-carbamimidoyl-3-ethylguanidine?
The canonical SMILES for 2-butyl-1-carbamimidoyl-3-ethylguanidine is [H]/N=C(\N)N/C(=N/CCCC)NCC.
What is the InChIKey of 2-butyl-1-carbamimidoyl-3-ethylguanidine?
The InChIKey is KREZRKULMRIOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5/c1-3-5-6-12-8(11-4-2)13-7(9)10/h3-6H2,1-2H3,(H5,9,10,11,12,13).
What are the key properties of 2-butyl-1-carbamimidoyl-3-ethylguanidine?
2-butyl-1-carbamimidoyl-3-ethylguanidine has a molecular weight of 185.27 g/mol, XLogP of 0.24, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-carbamimidoyl-3-ethylguanidine is sourced from PubChem (CID 176518606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).