2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide

C17H31IN4 — CID 111036303

IUPAC2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCCN(CC)Cc1ccccc1CN=C(N(C)C)N(C)C.I
InChIInChI=1S/C17H30N4.HI/c1-7-21(8-2)14-16-12-10-9-11-15(16)13-18-17(19(3)4)20(5)6;/h9-12H,7-8,13-14H2,1-6H3;1H
InChIKeyXXWRSMRFRODZRQ-UHFFFAOYSA-N
MW418.37 g/mol
LogP3.13
Rot. Bonds6

About 2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide

2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111036303) has the molecular formula C17H31IN4 and a molecular weight of 418.37 g/mol. Its IUPAC name is 2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111036303
Molecular FormulaC17H31IN4
Molecular Weight418.37 g/mol
Exact Mass418.16
IUPAC Name2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCCN(CC)Cc1ccccc1CN=C(N(C)C)N(C)C.I
InChIInChI=1S/C17H30N4.HI/c1-7-21(8-2)14-16-12-10-9-11-15(16)13-18-17(19(3)4)20(5)6;/h9-12H,7-8,13-14H2,1-6H3;1H
InChIKeyXXWRSMRFRODZRQ-UHFFFAOYSA-N
XLogP3.13
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;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-[(2-ethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine
CID 111044300
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111036327
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110914071
1-(cyclopropylmethyl)-2-[[2-(diethylaminomethyl)phenyl]methyl]-3-ethylguanidine;hydroiodide
CID 111867515
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111036299
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036259
N'-[[2-(diethylaminomethyl)phenyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956588
1,1,3,3-tetramethyl-2-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111038051
2-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 86786538
N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111036311
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide
CID 111945264
2-[2-(diethylaminomethyl)phenyl]ethanethioamide
CID 82135813

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111036303) is 2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide is CCN(CC)Cc1ccccc1CN=C(N(C)C)N(C)C.I.
What is the InChIKey of 2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is XXWRSMRFRODZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4.HI/c1-7-21(8-2)14-16-12-10-9-11-15(16)13-18-17(19(3)4)20(5)6;/h9-12H,7-8,13-14H2,1-6H3;1H.
What are the key properties of 2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 418.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111036303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).