2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide

C15H27IN4 — CID 110924919

IUPAC2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide
SMILESCCNC(=NCC(c1ccccc1)N(C)C)NCC.I
InChIInChI=1S/C15H26N4.HI/c1-5-16-15(17-6-2)18-12-14(19(3)4)13-10-8-7-9-11-13;/h7-11,14H,5-6,12H2,1-4H3,(H2,16,17,18);1H
InChIKeyBPDHCVRUZXIEDU-UHFFFAOYSA-N
MW390.31 g/mol
LogP2.48
Rot. Bonds6

About 2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide

2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide (PubChem CID 110924919) has the molecular formula C15H27IN4 and a molecular weight of 390.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide
PubChem CID110924919
Molecular FormulaC15H27IN4
Molecular Weight390.31 g/mol
Exact Mass390.13
IUPAC Name2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide
SMILESCCNC(=NCC(c1ccccc1)N(C)C)NCC.I
InChIInChI=1S/C15H26N4.HI/c1-5-16-15(17-6-2)18-12-14(19(3)4)13-10-8-7-9-11-13;/h7-11,14H,5-6,12H2,1-4H3,(H2,16,17,18);1H
InChIKeyBPDHCVRUZXIEDU-UHFFFAOYSA-N
XLogP2.48
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
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-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;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-(dimethylamino)-2-phenylethyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472412
2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-(4-methylsulfanylbutyl)guanidine
CID 111627948
2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236169
2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111651103
2-(2,2-diphenylethyl)-1,3-diethylguanidine
CID 110924816
1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-[2-(dimethylamino)-2-phenylethyl]-3-ethylguanidine;hydroiodide
CID 109494880
2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018500
2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111011334
2-[2-(diethylamino)-2-phenylethyl]-1-ethyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]guanidine;hydroiodide
CID 111011066
2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine
CID 109375977
2-[2-(dimethylamino)-3-phenylpropyl]-1,3-diethylguanidine
CID 110924766
ethyl 4-[[N'-[2-(dimethylamino)-2-phenylethyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328683

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide?
The IUPAC name of 2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide (CID 110924919) is 2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide is CCNC(=NCC(c1ccccc1)N(C)C)NCC.I.
What is the InChIKey of 2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide?
The InChIKey is BPDHCVRUZXIEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4.HI/c1-5-16-15(17-6-2)18-12-14(19(3)4)13-10-8-7-9-11-13;/h7-11,14H,5-6,12H2,1-4H3,(H2,16,17,18);1H.
What are the key properties of 2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide?
2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide has a molecular weight of 390.31 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide is sourced from PubChem (CID 110924919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).