2-[[4-(dimethylamino)phenyl]methyl]-1,3-diethylguanidine;hydroiodide

C14H25IN4 — CID 110913807

IUPAC2-[[4-(dimethylamino)phenyl]methyl]-1,3-diethylguanidine;hydroiodide
SMILESCCNC(=NCc1ccc(N(C)C)cc1)NCC.I
InChIInChI=1S/C14H24N4.HI/c1-5-15-14(16-6-2)17-11-12-7-9-13(10-8-12)18(3)4;/h7-10H,5-6,11H2,1-4H3,(H2,15,16,17);1H
InChIKeyJCHYSALEUPDMAR-UHFFFAOYSA-N
MW376.29 g/mol
LogP2.45
Rot. Bonds5

About 2-[[4-(dimethylamino)phenyl]methyl]-1,3-diethylguanidine;hydroiodide

2-[[4-(dimethylamino)phenyl]methyl]-1,3-diethylguanidine;hydroiodide (PubChem CID 110913807) has the molecular formula C14H25IN4 and a molecular weight of 376.29 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)phenyl]methyl]-1,3-diethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)phenyl]methyl]-1,3-diethylguanidine;hydroiodide
PubChem CID110913807
Molecular FormulaC14H25IN4
Molecular Weight376.29 g/mol
Exact Mass376.11
IUPAC Name2-[[4-(dimethylamino)phenyl]methyl]-1,3-diethylguanidine;hydroiodide
SMILESCCNC(=NCc1ccc(N(C)C)cc1)NCC.I
InChIInChI=1S/C14H24N4.HI/c1-5-15-14(16-6-2)17-11-12-7-9-13(10-8-12)18(3)4;/h7-10H,5-6,11H2,1-4H3,(H2,15,16,17);1H
InChIKeyJCHYSALEUPDMAR-UHFFFAOYSA-N
XLogP2.45
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', '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-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474496
2-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111610469
2-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109474497
2-[[4-(dimethylamino)phenyl]methyl]-1-(3-ethoxypropyl)-3-ethylguanidine;hydroiodide
CID 111224328
2-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
CID 111606575
2-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111402170
2-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703527
2-[(4-bromophenyl)methyl]-1,3-diethylguanidine;hydroiodide
CID 86777408
3-[2-[[N'-[[4-(dimethylamino)phenyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111669203
2-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019234
2-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111147933
2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1,3-diethylguanidine;hydroiodide
CID 110926018

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)phenyl]methyl]-1,3-diethylguanidine;hydroiodide?
The IUPAC name of 2-[[4-(dimethylamino)phenyl]methyl]-1,3-diethylguanidine;hydroiodide (CID 110913807) is 2-[[4-(dimethylamino)phenyl]methyl]-1,3-diethylguanidine;hydroiodide.
What is the SMILES notation for 2-[[4-(dimethylamino)phenyl]methyl]-1,3-diethylguanidine;hydroiodide?
The canonical SMILES for 2-[[4-(dimethylamino)phenyl]methyl]-1,3-diethylguanidine;hydroiodide is CCNC(=NCc1ccc(N(C)C)cc1)NCC.I.
What is the InChIKey of 2-[[4-(dimethylamino)phenyl]methyl]-1,3-diethylguanidine;hydroiodide?
The InChIKey is JCHYSALEUPDMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4.HI/c1-5-15-14(16-6-2)17-11-12-7-9-13(10-8-12)18(3)4;/h7-10H,5-6,11H2,1-4H3,(H2,15,16,17);1H.
What are the key properties of 2-[[4-(dimethylamino)phenyl]methyl]-1,3-diethylguanidine;hydroiodide?
2-[[4-(dimethylamino)phenyl]methyl]-1,3-diethylguanidine;hydroiodide has a molecular weight of 376.29 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)phenyl]methyl]-1,3-diethylguanidine;hydroiodide is sourced from PubChem (CID 110913807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).