1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide

C16H29IN4 — CID 111035152

IUPAC1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CCCN(CC)c1ccccc1.I
InChIInChI=1S/C16H28N4.HI/c1-4-19(5-2)16(17)18-13-10-14-20(6-3)15-11-8-7-9-12-15;/h7-9,11-12H,4-6,10,13-14H2,1-3H3,(H2,17,18);1H
InChIKeyAPZVNQGBJJFPLY-UHFFFAOYSA-N
MW404.34 g/mol
LogP3.18
Rot. Bonds8

About 1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide

1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide (PubChem CID 111035152) has the molecular formula C16H29IN4 and a molecular weight of 404.34 g/mol. Its IUPAC name is 1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide
PubChem CID111035152
Molecular FormulaC16H29IN4
Molecular Weight404.34 g/mol
Exact Mass404.14
IUPAC Name1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CCCN(CC)c1ccccc1.I
InChIInChI=1S/C16H28N4.HI/c1-4-19(5-2)16(17)18-13-10-14-20(6-3)15-11-8-7-9-12-15;/h7-9,11-12H,4-6,10,13-14H2,1-3H3,(H2,17,18);1H
InChIKeyAPZVNQGBJJFPLY-UHFFFAOYSA-N
XLogP3.18
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
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'}

Analyze 1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide 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

2-[3-[benzyl(methyl)amino]propyl]-1,1-diethylguanidine;hydroiodide
CID 111035010
N'-[3-(N-ethylanilino)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111035180
1,1-diethyl-2-(2-phenylethyl)guanidine
CID 100672996
4-(N-ethylanilino)butanimidamide
CID 24691564
2-[2-(benzenesulfinyl)ethyl]-1,1-diethylguanidine
CID 111809894
2-[3-(N-ethylanilino)propyl]-1-(3-methoxyphenyl)guanidine
CID 111035137
1,1-diethyl-2-(2-phenylsulfanylethyl)guanidine
CID 111033060
1-[3-(N-ethylanilino)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111035148
3-(N-ethylanilino)propylurea
CID 112708177
N-ethyl-N-(5-phenylpentyl)aniline
CID 57010126
4-(N-ethylanilino)butanoic acid
CID 11390560
2-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-1,1-diethylguanidine;hydroiodide
CID 111810791

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide?
The IUPAC name of 1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide (CID 111035152) is 1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide?
The canonical SMILES for 1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide is CCN(CC)/C(N)=N/CCCN(CC)c1ccccc1.I.
What is the InChIKey of 1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide?
The InChIKey is APZVNQGBJJFPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4.HI/c1-4-19(5-2)16(17)18-13-10-14-20(6-3)15-11-8-7-9-12-15;/h7-9,11-12H,4-6,10,13-14H2,1-3H3,(H2,17,18);1H.
What are the key properties of 1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide?
1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide has a molecular weight of 404.34 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111035152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).