1-carbamimidoyl-2-hexylguanidine

C8H19N5 — CID 176518657

IUPAC1-carbamimidoyl-2-hexylguanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCCCC
InChIInChI=1S/C8H19N5/c1-2-3-4-5-6-12-8(11)13-7(9)10/h2-6H2,1H3,(H6,9,10,11,12,13)
InChIKeyVAZJLPXFVQHDFB-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.36
Rot. Bonds5

About 1-carbamimidoyl-2-hexylguanidine

1-carbamimidoyl-2-hexylguanidine (PubChem CID 176518657) has the molecular formula C8H19N5 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-carbamimidoyl-2-hexylguanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-hexylguanidine
PubChem CID176518657
Molecular FormulaC8H19N5
Molecular Weight185.27 g/mol
Exact Mass185.16
IUPAC Name1-carbamimidoyl-2-hexylguanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCCCCC
InChIInChI=1S/C8H19N5/c1-2-3-4-5-6-12-8(11)13-7(9)10/h2-6H2,1H3,(H6,9,10,11,12,13)
InChIKeyVAZJLPXFVQHDFB-UHFFFAOYSA-N
XLogP0.36
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.36
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-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
1-carbamimidamido-2-hexylguanidine
CID 176532426
1-carbamimidoyl-2-(5-hydroxypentyl)guanidine
CID 176540949
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
CID 176522224
CID 176522224
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
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

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-hexylguanidine?
The IUPAC name of 1-carbamimidoyl-2-hexylguanidine (CID 176518657) is 1-carbamimidoyl-2-hexylguanidine.
What is the SMILES notation for 1-carbamimidoyl-2-hexylguanidine?
The canonical SMILES for 1-carbamimidoyl-2-hexylguanidine is [H]/N=C(\N)N/C(N)=N/CCCCCC.
What is the InChIKey of 1-carbamimidoyl-2-hexylguanidine?
The InChIKey is VAZJLPXFVQHDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5/c1-2-3-4-5-6-12-8(11)13-7(9)10/h2-6H2,1H3,(H6,9,10,11,12,13).
What are the key properties of 1-carbamimidoyl-2-hexylguanidine?
1-carbamimidoyl-2-hexylguanidine has a molecular weight of 185.27 g/mol, XLogP of 0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-hexylguanidine is sourced from PubChem (CID 176518657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).