1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide

C19H22IN3 — CID 111356803

IUPAC1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide
SMILESC#CCN/C(=N\C)NCC(c1ccccc1)c1ccccc1.I
InChIInChI=1S/C19H21N3.HI/c1-3-14-21-19(20-2)22-15-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h1,4-13,18H,14-15H2,2H3,(H2,20,21,22);1H
InChIKeyATLURQXRKDRTLT-UHFFFAOYSA-N
MW419.31 g/mol
LogP3.23
Rot. Bonds5

About 1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide

1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide (PubChem CID 111356803) has the molecular formula C19H22IN3 and a molecular weight of 419.31 g/mol. Its IUPAC name is 1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide
PubChem CID111356803
Molecular FormulaC19H22IN3
Molecular Weight419.31 g/mol
Exact Mass419.09
IUPAC Name1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide
SMILESC#CCN/C(=N\C)NCC(c1ccccc1)c1ccccc1.I
InChIInChI=1S/C19H21N3.HI/c1-3-14-21-19(20-2)22-15-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h1,4-13,18H,14-15H2,2H3,(H2,20,21,22);1H
InChIKeyATLURQXRKDRTLT-UHFFFAOYSA-N
XLogP3.23
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine
CID 109389814
2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine
CID 110949098
1-(2,2-diphenylethyl)-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111345766
2-methyl-1-(2-phenylethyl)-3-prop-2-ynylguanidine;hydroiodide
CID 111134716
methyl 3-[[N-(2,2-diphenylethyl)-N'-methylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111356963
1-(2,2-diphenylethyl)-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 84584139
N-[2-[[N-(2,2-diphenylethyl)-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111357216
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-prop-2-ynylguanidine
CID 111682632
1-(2,2-diphenylethyl)-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111357295
4-[[[N-(2,2-diphenylethyl)-N'-methylcarbamimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111357165
1-(2,2-diphenylethyl)-2-methyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111356839
1-(2-tert-butylsulfinylethyl)-3-(2,2-diphenylethyl)-2-methylguanidine
CID 111831101

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide?
The IUPAC name of 1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide (CID 111356803) is 1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide.
What is the SMILES notation for 1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide?
The canonical SMILES for 1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide is C#CCN/C(=N\C)NCC(c1ccccc1)c1ccccc1.I.
What is the InChIKey of 1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide?
The InChIKey is ATLURQXRKDRTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3.HI/c1-3-14-21-19(20-2)22-15-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h1,4-13,18H,14-15H2,2H3,(H2,20,21,22);1H.
What are the key properties of 1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide?
1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide has a molecular weight of 419.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide is sourced from PubChem (CID 111356803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).