2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide

C15H27IN4 — CID 111089152

IUPAC2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCCc1ccc(N(C)C)cc1)N(C)C.I
InChIInChI=1S/C15H26N4.HI/c1-17(2)14-9-7-13(8-10-14)11-12-16-15(18(3)4)19(5)6;/h7-10H,11-12H2,1-6H3;1H
InChIKeyOPHVCFZFFUECKM-UHFFFAOYSA-N
MW390.31 g/mol
LogP2.39
Rot. Bonds4

About 2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide

2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111089152) has the molecular formula C15H27IN4 and a molecular weight of 390.31 g/mol. Its IUPAC name is 2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111089152
Molecular FormulaC15H27IN4
Molecular Weight390.31 g/mol
Exact Mass390.13
IUPAC Name2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCN(C)C(=NCCc1ccc(N(C)C)cc1)N(C)C.I
InChIInChI=1S/C15H26N4.HI/c1-17(2)14-9-7-13(8-10-14)11-12-16-15(18(3)4)19(5)6;/h7-10H,11-12H2,1-6H3;1H
InChIKeyOPHVCFZFFUECKM-UHFFFAOYSA-N
XLogP2.39
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
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-[2-(4-chlorophenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111024780
2-[2-(4-methoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine
CID 111024094
2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methylphenyl)guanidine
CID 111089141
2-[2-[4-(dimethylamino)phenyl]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111089118
2-[2-[4-(dimethylamino)phenyl]ethyl]-1-ethyl-3-prop-2-ynylguanidine
CID 136922197
2-[3-[4-(dimethylamino)phenyl]propyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111126426
2-[2-(2,4-dimethylphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111075828
N'-[2-[4-(dimethylamino)phenyl]ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111089178
2-[3-[4-(dimethylamino)phenyl]propyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111067831
N'-[3-[4-(dimethylamino)phenyl]propyl]piperidine-1-carboximidamide;hydroiodide
CID 111067891
2-[[4-(dimethylamino)phenyl]methyl]propanedioic acid
CID 15120645
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111089152) is 2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide is CN(C)C(=NCCc1ccc(N(C)C)cc1)N(C)C.I.
What is the InChIKey of 2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is OPHVCFZFFUECKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4.HI/c1-17(2)14-9-7-13(8-10-14)11-12-16-15(18(3)4)19(5)6;/h7-10H,11-12H2,1-6H3;1H.
What are the key properties of 2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 390.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(dimethylamino)phenyl]ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111089152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).