1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine

C17H24N4O2 — CID 111838821

IUPAC1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ccc(CN/C(=N/C)NCCc2ccco2)cn1
InChIInChI=1S/C17H24N4O2/c1-3-10-23-16-7-6-14(12-20-16)13-21-17(18-2)19-9-8-15-5-4-11-22-15/h4-7,11-12H,3,8-10,13H2,1-2H3,(H2,18,19,21)
InChIKeyQWVDNQKNSKRLRU-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.37
Rot. Bonds8

About 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine

1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine (PubChem CID 111838821) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
PubChem CID111838821
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ccc(CN/C(=N/C)NCCc2ccco2)cn1
InChIInChI=1S/C17H24N4O2/c1-3-10-23-16-7-6-14(12-20-16)13-21-17(18-2)19-9-8-15-5-4-11-22-15/h4-7,11-12H,3,8-10,13H2,1-2H3,(H2,18,19,21)
InChIKeyQWVDNQKNSKRLRU-UHFFFAOYSA-N
XLogP2.37
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.37
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-(furan-2-yl)ethyl]-2-methyl-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 111353594
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111353593
1-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111354416
1-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111354904
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(3-propoxyphenyl)methyl]guanidine
CID 111355106
2-methyl-1-(2-phenoxyethyl)-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111834161
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111838398
2-methyl-1-prop-2-enyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111548373
1-[(3-butoxyphenyl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111356535
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111840158
1-[2-(furan-2-yl)ethyl]-3-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methylguanidine
CID 111356338
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111837310

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine (CID 111838821) is 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine is CCCOc1ccc(CN/C(=N/C)NCCc2ccco2)cn1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine?
The InChIKey is QWVDNQKNSKRLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-10-23-16-7-6-14(12-20-16)13-21-17(18-2)19-9-8-15-5-4-11-22-15/h4-7,11-12H,3,8-10,13H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine?
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine has a molecular weight of 316.41 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propoxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111838821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).