1-(N'-butylcarbamimidoyl)-2-ethylguanidine

C8H19N5 — CID 20694180

IUPAC1-(N'-butylcarbamimidoyl)-2-ethylguanidine
SMILESCCCC/N=C(\N)N/C(N)=N/CC
InChIInChI=1S/C8H19N5/c1-3-5-6-12-8(10)13-7(9)11-4-2/h3-6H2,1-2H3,(H5,9,10,11,12,13)
InChIKeyXBVICPZZESSEQZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.03
Rot. Bonds4

About 1-(N'-butylcarbamimidoyl)-2-ethylguanidine

1-(N'-butylcarbamimidoyl)-2-ethylguanidine (PubChem CID 20694180) has the molecular formula C8H19N5 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(N'-butylcarbamimidoyl)-2-ethylguanidine.

Molecular Properties

Compound Name1-(N'-butylcarbamimidoyl)-2-ethylguanidine
PubChem CID20694180
Molecular FormulaC8H19N5
Molecular Weight185.27 g/mol
Exact Mass185.16
IUPAC Name1-(N'-butylcarbamimidoyl)-2-ethylguanidine
SMILESCCCC/N=C(\N)N/C(N)=N/CC
InChIInChI=1S/C8H19N5/c1-3-5-6-12-8(10)13-7(9)11-4-2/h3-6H2,1-2H3,(H5,9,10,11,12,13)
InChIKeyXBVICPZZESSEQZ-UHFFFAOYSA-N
XLogP0.03
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
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

N-butyl-1-carbamimidamidomethanimidamide
CID 176516704
Etoformin
CID 170347
N-Butyl-N'-cyanoguanidine
CID 218734
N1,N5-dibutylbiguanide hydrochloride
CID 86583240
GS-18667 free base
CID 23437065
1-Cyano-3-propylguanidine
CID 370386
Diethylbiguanide
CID 21361117
2-butyl-1-(N'-butylcarbamimidoyl)guanidine
CID 58402
Adebit
CID 176516537
Hexyl Biguanide HCl
CID 176518460
1-Carbamimidoyl-2-hexylguanidine
CID 176518657
[amino-[(N'-butylcarbamimidoyl)amino]methylidene]-butylazanium
CID 57564981

Frequently Asked Questions

What is the IUPAC name of 1-(N'-butylcarbamimidoyl)-2-ethylguanidine?
The IUPAC name of 1-(N'-butylcarbamimidoyl)-2-ethylguanidine (CID 20694180) is 1-(N'-butylcarbamimidoyl)-2-ethylguanidine.
What is the SMILES notation for 1-(N'-butylcarbamimidoyl)-2-ethylguanidine?
The canonical SMILES for 1-(N'-butylcarbamimidoyl)-2-ethylguanidine is CCCC/N=C(\N)N/C(N)=N/CC.
What is the InChIKey of 1-(N'-butylcarbamimidoyl)-2-ethylguanidine?
The InChIKey is XBVICPZZESSEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5/c1-3-5-6-12-8(10)13-7(9)11-4-2/h3-6H2,1-2H3,(H5,9,10,11,12,13).
What are the key properties of 1-(N'-butylcarbamimidoyl)-2-ethylguanidine?
1-(N'-butylcarbamimidoyl)-2-ethylguanidine has a molecular weight of 185.27 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-butylcarbamimidoyl)-2-ethylguanidine is sourced from PubChem (CID 20694180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).