1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine

C19H32N4O2 — CID 111946109

IUPAC1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine
SMILESCCOCCCCN/C(=N\C)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C19H32N4O2/c1-3-24-14-7-6-12-22-19(20-2)23-15-16-9-8-13-21-18(16)25-17-10-4-5-11-17/h8-9,13,17H,3-7,10-12,14-15H2,1-2H3,(H2,20,22,23)
InChIKeyDNYGTRZKQGUZIW-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.88
Rot. Bonds10

About 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine

1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine (PubChem CID 111946109) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine
PubChem CID111946109
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine
SMILESCCOCCCCN/C(=N\C)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C19H32N4O2/c1-3-24-14-7-6-12-22-19(20-2)23-15-16-9-8-13-21-18(16)25-17-10-4-5-11-17/h8-9,13,17H,3-7,10-12,14-15H2,1-2H3,(H2,20,22,23)
InChIKeyDNYGTRZKQGUZIW-UHFFFAOYSA-N
XLogP2.88
TPSA67.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-ethoxypropyl)-2-methylguanidine
CID 111223273
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111647150
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111869742
1-(3-ethoxypropyl)-3-[(2-methoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111224802
1-(3-ethoxypropyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111222878
1-[(2-butoxy-3-pyridinyl)methyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111895141
1-(3-cyclopentylpropyl)-3-[(2-ethoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111947080
1-(3-ethoxypropyl)-2-methyl-3-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 111224801
1-(3-cyclohexyloxypropyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111396907
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111893622
1-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111564043
1-[(2-butoxy-3-pyridinyl)methyl]-3-butyl-2-methylguanidine
CID 111150836

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine?
The IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine (CID 111946109) is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine.
What is the SMILES notation for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine?
The canonical SMILES for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine is CCOCCCCN/C(=N\C)NCc1cccnc1OC1CCCC1.
What is the InChIKey of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine?
The InChIKey is DNYGTRZKQGUZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-3-24-14-7-6-12-22-19(20-2)23-15-16-9-8-13-21-18(16)25-17-10-4-5-11-17/h8-9,13,17H,3-7,10-12,14-15H2,1-2H3,(H2,20,22,23).
What are the key properties of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine?
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine has a molecular weight of 348.49 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-ethoxybutyl)-2-methylguanidine is sourced from PubChem (CID 111946109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).