2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide

C16H37IN4O — CID 111897090

IUPAC2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CC(C(CC)CC)N(C)C)NCCOCC.I
InChIInChI=1S/C16H36N4O.HI/c1-7-14(8-2)15(20(5)6)13-19-16(17-9-3)18-11-12-21-10-4;/h14-15H,7-13H2,1-6H3,(H2,17,18,19);1H
InChIKeyBHSIQPQDKCMHDR-UHFFFAOYSA-N
MW428.40 g/mol
LogP2.56
Rot. Bonds11

About 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide

2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide (PubChem CID 111897090) has the molecular formula C16H37IN4O and a molecular weight of 428.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
PubChem CID111897090
Molecular FormulaC16H37IN4O
Molecular Weight428.40 g/mol
Exact Mass428.20
IUPAC Name2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CC(C(CC)CC)N(C)C)NCCOCC.I
InChIInChI=1S/C16H36N4O.HI/c1-7-14(8-2)15(20(5)6)13-19-16(17-9-3)18-11-12-21-10-4;/h14-15H,7-13H2,1-6H3,(H2,17,18,19);1H
InChIKeyBHSIQPQDKCMHDR-UHFFFAOYSA-N
XLogP2.56
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111126713
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111897138
methyl 3-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111896794
2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111646748
2-(2-ethoxyethyl)-1-ethyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide
CID 111895626
1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine
CID 111891337
2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine;hydroiodide
CID 111699358
2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111894898
1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224057
2-(4-ethoxybutyl)-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896119
1-(2-ethoxyethyl)-3-ethyl-2-(5-methylhexyl)guanidine;hydroiodide
CID 111580367
2-[3-(diethylamino)propyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111897154

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide?
The IUPAC name of 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide (CID 111897090) is 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide is CCN/C(=N\CC(C(CC)CC)N(C)C)NCCOCC.I.
What is the InChIKey of 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide?
The InChIKey is BHSIQPQDKCMHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4O.HI/c1-7-14(8-2)15(20(5)6)13-19-16(17-9-3)18-11-12-21-10-4;/h14-15H,7-13H2,1-6H3,(H2,17,18,19);1H.
What are the key properties of 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide?
2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide has a molecular weight of 428.40 g/mol, XLogP of 2.56, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111897090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).