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

C15H26IN3 — CID 111075828

IUPAC2-[2-(2,4-dimethylphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCc1ccc(CCN=C(N(C)C)N(C)C)c(C)c1.I
InChIInChI=1S/C15H25N3.HI/c1-12-7-8-14(13(2)11-12)9-10-16-15(17(3)4)18(5)6;/h7-8,11H,9-10H2,1-6H3;1H
InChIKeyQNGYUWSPAPGPAL-UHFFFAOYSA-N
MW375.30 g/mol
LogP2.94
Rot. Bonds3

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

2-[2-(2,4-dimethylphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111075828) has the molecular formula C15H26IN3 and a molecular weight of 375.30 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111075828
Molecular FormulaC15H26IN3
Molecular Weight375.30 g/mol
Exact Mass375.12
IUPAC Name2-[2-(2,4-dimethylphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCc1ccc(CCN=C(N(C)C)N(C)C)c(C)c1.I
InChIInChI=1S/C15H25N3.HI/c1-12-7-8-14(13(2)11-12)9-10-16-15(17(3)4)18(5)6;/h7-8,11H,9-10H2,1-6H3;1H
InChIKeyQNGYUWSPAPGPAL-UHFFFAOYSA-N
XLogP2.94
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

1-butan-2-yl-2-[2-(2,4-dimethylphenyl)ethyl]guanidine;hydroiodide
CID 110921044
1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine
CID 122098439
2-[2-(2,4-dimethylphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125202
2-[2-(2,5-dimethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111044459
(2,4-dimethylphenyl)methyl N,N-dimethylcarbamodithioate
CID 121001692
1,1,3,3-tetramethyl-2-[2-(4-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111026858
2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine
CID 111075809
2-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1,1,3,3-tetramethylguanidine
CID 75493953
1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine
CID 122082186
2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine
CID 166117253
1-(3-chloro-4-methylpentyl)-2,4-dimethylbenzene
CID 64509110
1,1,3,3-tetramethyl-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111046282

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111075828) is 2-[2-(2,4-dimethylphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide is Cc1ccc(CCN=C(N(C)C)N(C)C)c(C)c1.I.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is QNGYUWSPAPGPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3.HI/c1-12-7-8-14(13(2)11-12)9-10-16-15(17(3)4)18(5)6;/h7-8,11H,9-10H2,1-6H3;1H.
What are the key properties of 2-[2-(2,4-dimethylphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[2-(2,4-dimethylphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 375.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)ethyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111075828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).