N-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide

C11H23IN4 — CID 176543093

IUPACN-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide
SMILES[H]/N=C(\I)N/C(N)=N/CCCC(C)(CC)CC
InChIInChI=1S/C11H23IN4/c1-4-11(3,5-2)7-6-8-15-10(14)16-9(12)13/h4-8H2,1-3H3,(H4,13,14,15,16)
InChIKeyLUKPGGZUMAHDCU-UHFFFAOYSA-N
MW338.24 g/mol
LogP2.87
Rot. Bonds6

About N-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide

N-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide (PubChem CID 176543093) has the molecular formula C11H23IN4 and a molecular weight of 338.24 g/mol. Its IUPAC name is N-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide.

Molecular Properties

Compound NameN-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide
PubChem CID176543093
Molecular FormulaC11H23IN4
Molecular Weight338.24 g/mol
Exact Mass338.10
IUPAC NameN-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide
SMILES[H]/N=C(\I)N/C(N)=N/CCCC(C)(CC)CC
InChIInChI=1S/C11H23IN4/c1-4-11(3,5-2)7-6-8-15-10(14)16-9(12)13/h4-8H2,1-3H3,(H4,13,14,15,16)
InChIKeyLUKPGGZUMAHDCU-UHFFFAOYSA-N
XLogP2.87
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 52.87
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[N'-(4,4-dimethylpentyl)carbamimidoyl]-2-propylguanidine
CID 129026582
1-carbamimidoyl-2-hexylguanidine
CID 176518657
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
CID 176522224
CID 176522224
1,1-dimethyl-3-(N'-pentylcarbamimidoyl)guanidine;hydrochloride
CID 176524917
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
1-carbamimidoyl-2-[3-(dimethylamino)propyl]guanidine
CID 176532875
1-carbamimidoyl-2-[3-(diethylamino)propyl]guanidine;hydron;chloride
CID 176540701
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176521105
2-butyl-1-carbamimidoylguanidine;oxetane;hydrochloride
CID 176532485

Frequently Asked Questions

What is the IUPAC name of N-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide?
The IUPAC name of N-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide (CID 176543093) is N-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide.
What is the SMILES notation for N-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide?
The canonical SMILES for N-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide is [H]/N=C(\I)N/C(N)=N/CCCC(C)(CC)CC.
What is the InChIKey of N-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide?
The InChIKey is LUKPGGZUMAHDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23IN4/c1-4-11(3,5-2)7-6-8-15-10(14)16-9(12)13/h4-8H2,1-3H3,(H4,13,14,15,16).
What are the key properties of N-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide?
N-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide has a molecular weight of 338.24 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(4-ethyl-4-methylhexyl)carbamimidoyl]carbamimidoyl iodide is sourced from PubChem (CID 176543093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).