2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine

C20H36N6 — CID 111320222

IUPAC2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
SMILESCCN/C(=N\Cc1cccnc1N(C)C)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C20H36N6/c1-6-21-19(23-15-17-11-10-12-22-18(17)25(4)5)24-16-20(2,3)26-13-8-7-9-14-26/h10-12H,6-9,13-16H2,1-5H3,(H2,21,23,24)
InChIKeyGHBKDHUEUBXCMA-UHFFFAOYSA-N
MW360.55 g/mol
LogP2.47
Rot. Bonds7

About 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine

2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine (PubChem CID 111320222) has the molecular formula C20H36N6 and a molecular weight of 360.55 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
PubChem CID111320222
Molecular FormulaC20H36N6
Molecular Weight360.55 g/mol
Exact Mass360.30
IUPAC Name2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
SMILESCCN/C(=N\Cc1cccnc1N(C)C)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C20H36N6/c1-6-21-19(23-15-17-11-10-12-22-18(17)25(4)5)24-16-20(2,3)26-13-8-7-9-14-26/h10-12H,6-9,13-16H2,1-5H3,(H2,21,23,24)
InChIKeyGHBKDHUEUBXCMA-UHFFFAOYSA-N
XLogP2.47
TPSA55.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
CID 111606211
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111320168
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111320167
1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
CID 111320616
1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111313165
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111007177
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111370938
1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111321094
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-ethylguanidine;hydroiodide
CID 111660554
2-[(2-butoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111314096
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111314035
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948137

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine (CID 111320222) is 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine is CCN/C(=N\Cc1cccnc1N(C)C)NCC(C)(C)N1CCCCC1.
What is the InChIKey of 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
The InChIKey is GHBKDHUEUBXCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6/c1-6-21-19(23-15-17-11-10-12-22-18(17)25(4)5)24-16-20(2,3)26-13-8-7-9-14-26/h10-12H,6-9,13-16H2,1-5H3,(H2,21,23,24).
What are the key properties of 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine?
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine has a molecular weight of 360.55 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 111320222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).