1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine

C20H29N5 — CID 111193088

IUPAC1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1ccccn1)NCC(c1ccc(C)cc1)N(C)C
InChIInChI=1S/C20H29N5/c1-16-8-10-17(11-9-16)19(25(3)4)15-24-20(21-2)23-14-12-18-7-5-6-13-22-18/h5-11,13,19H,12,14-15H2,1-4H3,(H2,21,23,24)
InChIKeyDSMBGMMQPZBRMZ-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.40
Rot. Bonds7

About 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine

1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111193088) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111193088
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1ccccn1)NCC(c1ccc(C)cc1)N(C)C
InChIInChI=1S/C20H29N5/c1-16-8-10-17(11-9-16)19(25(3)4)15-24-20(21-2)23-14-12-18-7-5-6-13-22-18/h5-11,13,19H,12,14-15H2,1-4H3,(H2,21,23,24)
InChIKeyDSMBGMMQPZBRMZ-UHFFFAOYSA-N
XLogP2.40
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-propylguanidine
CID 111227153
2-methyl-1-[2-(N-methylanilino)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192223
1-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194627
1-(2,2-dicyclopropylethyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111500308
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111194186
2-methyl-1-(3-phenylbutyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111193666
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194185
1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 111895426
2-methyl-1-[3-(4-propan-2-ylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111549212
2-methyl-1-(2-phenylsulfanylpropyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111496099
1-[2-(diethylamino)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191845
1-[2-[butyl(methyl)amino]ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111782062

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine (CID 111193088) is 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine is C/N=C(\NCCc1ccccn1)NCC(c1ccc(C)cc1)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is DSMBGMMQPZBRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-16-8-10-17(11-9-16)19(25(3)4)15-24-20(21-2)23-14-12-18-7-5-6-13-22-18/h5-11,13,19H,12,14-15H2,1-4H3,(H2,21,23,24).
What are the key properties of 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 339.49 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111193088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).