1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine

C19H26N4OS — CID 111940921

IUPAC1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccsc1)NCc1ccc(OC2CCCC2)nc1
InChIInChI=1S/C19H26N4OS/c1-2-20-19(23-13-16-9-10-25-14-16)22-12-15-7-8-18(21-11-15)24-17-5-3-4-6-17/h7-11,14,17H,2-6,12-13H2,1H3,(H2,20,22,23)
InChIKeyKXUDYLHDGOMUPF-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.72
Rot. Bonds7

About 1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine

1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine (PubChem CID 111940921) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine
PubChem CID111940921
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccsc1)NCc1ccc(OC2CCCC2)nc1
InChIInChI=1S/C19H26N4OS/c1-2-20-19(23-13-16-9-10-25-14-16)22-12-15-7-8-18(21-11-15)24-17-5-3-4-6-17/h7-11,14,17H,2-6,12-13H2,1H3,(H2,20,22,23)
InChIKeyKXUDYLHDGOMUPF-UHFFFAOYSA-N
XLogP3.72
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.72
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-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine
CID 111940619
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methylpropyl)guanidine
CID 111178474
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111524378
1-ethyl-3-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111939306
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-cyclopropyl-3-ethylguanidine
CID 110987722
1-ethyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-(thiophen-3-ylmethyl)guanidine
CID 111940333
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111706254
1-ethyl-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111939246
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111139281
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137082
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 109420257
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111261919

Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine?
The IUPAC name of 1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine (CID 111940921) is 1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine.
What is the SMILES notation for 1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine?
The canonical SMILES for 1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine is CCN/C(=N\Cc1ccsc1)NCc1ccc(OC2CCCC2)nc1.
What is the InChIKey of 1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine?
The InChIKey is KXUDYLHDGOMUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-2-20-19(23-13-16-9-10-25-14-16)22-12-15-7-8-18(21-11-15)24-17-5-3-4-6-17/h7-11,14,17H,2-6,12-13H2,1H3,(H2,20,22,23).
What are the key properties of 1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine?
1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine has a molecular weight of 358.51 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine is sourced from PubChem (CID 111940921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).