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

C14H25IN4 — CID 110919333

IUPAC1-[3-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide
SMILESCCN(CCCN/C(=N/C)NC)c1ccccc1.I
InChIInChI=1S/C14H24N4.HI/c1-4-18(13-9-6-5-7-10-13)12-8-11-17-14(15-2)16-3;/h5-7,9-10H,4,8,11-12H2,1-3H3,(H2,15,16,17);1H
InChIKeyDVJKRZBCGROKOM-UHFFFAOYSA-N
MW376.29 g/mol
LogP2.32
Rot. Bonds6

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

1-[3-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide (PubChem CID 110919333) has the molecular formula C14H25IN4 and a molecular weight of 376.29 g/mol. Its IUPAC name is 1-[3-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide
PubChem CID110919333
Molecular FormulaC14H25IN4
Molecular Weight376.29 g/mol
Exact Mass376.11
IUPAC Name1-[3-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide
SMILESCCN(CCCN/C(=N/C)NC)c1ccccc1.I
InChIInChI=1S/C14H24N4.HI/c1-4-18(13-9-6-5-7-10-13)12-8-11-17-14(15-2)16-3;/h5-7,9-10H,4,8,11-12H2,1-3H3,(H2,15,16,17);1H
InChIKeyDVJKRZBCGROKOM-UHFFFAOYSA-N
XLogP2.32
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
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'}

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Related Compounds

1-ethyl-3-[3-(N-ethylanilino)propyl]-2-methylguanidine
CID 111390105
1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942288
N-[2-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111390290
1-[3-(N-ethylanilino)propyl]-3-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylguanidine
CID 111390073
1-[3-(N-ethylanilino)propyl]-2-methyl-3-(3-methylsulfonylpropyl)guanidine
CID 111390055
1-[3-(N-ethylanilino)propyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111389852
1-[3-(N-ethylanilino)propyl]-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111389929
methyl 6-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]hexanoate;hydroiodide
CID 111390152
3-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 111390255
1-[3-(N-ethylanilino)propyl]-2-methyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 111390136
1-(2-benzylsulfinylethyl)-3-[3-(N-ethylanilino)propyl]-2-methylguanidine;hydroiodide
CID 111768020
1-[3-(N-ethylanilino)propyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111390201

Frequently Asked Questions

What is the IUPAC name of 1-[3-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[3-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide (CID 110919333) is 1-[3-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[3-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[3-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide is CCN(CCCN/C(=N/C)NC)c1ccccc1.I.
What is the InChIKey of 1-[3-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide?
The InChIKey is DVJKRZBCGROKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4.HI/c1-4-18(13-9-6-5-7-10-13)12-8-11-17-14(15-2)16-3;/h5-7,9-10H,4,8,11-12H2,1-3H3,(H2,15,16,17);1H.
What are the key properties of 1-[3-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide?
1-[3-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide has a molecular weight of 376.29 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(N-ethylanilino)propyl]-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 110919333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).