1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine

C20H23N3 — CID 109389814

IUPAC1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N3/c1-3-14-22-20(21-2)23-16-19(18-12-8-5-9-13-18)15-17-10-6-4-7-11-17/h1,4-13,19H,14-16H2,2H3,(H2,21,22,23)
InChIKeyPXJUAXLSIBIGGQ-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.81
Rot. Bonds6

About 1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine

1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine (PubChem CID 109389814) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine
PubChem CID109389814
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NCC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N3/c1-3-14-22-20(21-2)23-16-19(18-12-8-5-9-13-18)15-17-10-6-4-7-11-17/h1,4-13,19H,14-16H2,2H3,(H2,21,22,23)
InChIKeyPXJUAXLSIBIGGQ-UHFFFAOYSA-N
XLogP2.81
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.81
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-diphenylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 111356803
1-(2,3-diphenylpropyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 109389517
1-(2,3-diphenylpropyl)-3-[3-(ethylsulfonylamino)propyl]-2-methylguanidine
CID 109389328
2-methyl-1-(2-phenylethyl)-3-prop-2-ynylguanidine;hydroiodide
CID 111134716
2-methyl-1-(1-phenylethyl)-3-prop-2-ynylguanidine
CID 110949098
N-[2-[[N-(2,3-diphenylpropyl)-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 109389519
1-(2,3-diphenylpropyl)-2-methyl-3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine;hydroiodide
CID 109389699
1-[2-(dimethylamino)-3-phenylpropyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine;hydroiodide
CID 109408241
1-(2,3-diphenylpropyl)-3-[(3-fluoro-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 109389380
1-(2,3-diphenylpropyl)-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 109389587
1-(2,3-diphenylpropyl)-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-methylguanidine
CID 109389332
1-(2,3-diphenylpropyl)-2-methyl-3-[(5-sulfamoylthiophen-2-yl)methyl]guanidine
CID 109389816

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine?
The IUPAC name of 1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine (CID 109389814) is 1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine.
What is the SMILES notation for 1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine?
The canonical SMILES for 1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine is C#CCN/C(=N\C)NCC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine?
The InChIKey is PXJUAXLSIBIGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-3-14-22-20(21-2)23-16-19(18-12-8-5-9-13-18)15-17-10-6-4-7-11-17/h1,4-13,19H,14-16H2,2H3,(H2,21,22,23).
What are the key properties of 1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine?
1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine has a molecular weight of 305.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenylpropyl)-2-methyl-3-prop-2-ynylguanidine is sourced from PubChem (CID 109389814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).