1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine

C21H30N4O2 — CID 111605647

IUPAC1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccnc(OCc2ccccc2)c1)NCC(C)(C)OC
InChIInChI=1S/C21H30N4O2/c1-5-22-20(25-16-21(2,3)26-4)24-14-18-11-12-23-19(13-18)27-15-17-9-7-6-8-10-17/h6-13H,5,14-16H2,1-4H3,(H2,22,24,25)
InChIKeyHKVKYKIDYSOVHU-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.14
Rot. Bonds9

About 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine

1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine (PubChem CID 111605647) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
PubChem CID111605647
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccnc(OCc2ccccc2)c1)NCC(C)(C)OC
InChIInChI=1S/C21H30N4O2/c1-5-22-20(25-16-21(2,3)26-4)24-14-18-11-12-23-19(13-18)27-15-17-9-7-6-8-10-17/h6-13H,5,14-16H2,1-4H3,(H2,22,24,25)
InChIKeyHKVKYKIDYSOVHU-UHFFFAOYSA-N
XLogP3.14
TPSA67.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.14
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

1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 109417897
1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111605132
1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111607005
4-[[[N-ethyl-N'-[(2-phenylmethoxy-4-pyridinyl)methyl]carbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874520
1-ethyl-2-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111013175
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111531533
N-ethyl-N'-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 110955114
N-ethyl-N'-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955113
1-benzyl-2-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
CID 111758629
1-ethyl-2-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-3-(2-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109417259
1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006588
1-ethyl-2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]methyl]-3-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111607112

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine (CID 111605647) is 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine is CCN/C(=N\Cc1ccnc(OCc2ccccc2)c1)NCC(C)(C)OC.
What is the InChIKey of 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine?
The InChIKey is HKVKYKIDYSOVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-5-22-20(25-16-21(2,3)26-4)24-14-18-11-12-23-19(13-18)27-15-17-9-7-6-8-10-17/h6-13H,5,14-16H2,1-4H3,(H2,22,24,25).
What are the key properties of 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine?
1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine has a molecular weight of 370.50 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111605647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).