1-(2-ethylhexyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine

C19H34N4O2 — CID 111128009

IUPAC1-(2-ethylhexyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
SMILESCCCCC(CC)CN/C(=N\C)NCc1cccnc1OCCOC
InChIInChI=1S/C19H34N4O2/c1-5-7-9-16(6-2)14-22-19(20-3)23-15-17-10-8-11-21-18(17)25-13-12-24-4/h8,10-11,16H,5-7,9,12-15H2,1-4H3,(H2,20,22,23)
InChIKeyWBNBVESUGRCXHA-UHFFFAOYSA-N
MW350.51 g/mol
LogP2.99
Rot. Bonds12

About 1-(2-ethylhexyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine

1-(2-ethylhexyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine (PubChem CID 111128009) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(2-ethylhexyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
PubChem CID111128009
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name1-(2-ethylhexyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
SMILESCCCCC(CC)CN/C(=N\C)NCc1cccnc1OCCOC
InChIInChI=1S/C19H34N4O2/c1-5-7-9-16(6-2)14-22-19(20-3)23-15-17-10-8-11-21-18(17)25-13-12-24-4/h8,10-11,16H,5-7,9,12-15H2,1-4H3,(H2,20,22,23)
InChIKeyWBNBVESUGRCXHA-UHFFFAOYSA-N
XLogP2.99
TPSA67.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.99
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-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111180252
1-(3-butoxypropyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111239399
1-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110974087
1-[(2-butoxy-3-pyridinyl)methyl]-3-butyl-2-methylguanidine
CID 111150836
1-[(2-ethoxyphenyl)methyl]-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111881791
1-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110968504
1-(3-ethoxypropyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111222878
1-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111682656
1-(2-ethylbutyl)-2-methyl-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111890450
1-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111682655
1-[(5-ethylthiophen-2-yl)methyl]-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111957788
1-(2-ethylhexyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969043

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine?
The IUPAC name of 1-(2-ethylhexyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine (CID 111128009) is 1-(2-ethylhexyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine.
What is the SMILES notation for 1-(2-ethylhexyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine?
The canonical SMILES for 1-(2-ethylhexyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine is CCCCC(CC)CN/C(=N\C)NCc1cccnc1OCCOC.
What is the InChIKey of 1-(2-ethylhexyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine?
The InChIKey is WBNBVESUGRCXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-5-7-9-16(6-2)14-22-19(20-3)23-15-17-10-8-11-21-18(17)25-13-12-24-4/h8,10-11,16H,5-7,9,12-15H2,1-4H3,(H2,20,22,23).
What are the key properties of 1-(2-ethylhexyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine?
1-(2-ethylhexyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine has a molecular weight of 350.51 g/mol, XLogP of 2.99, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine is sourced from PubChem (CID 111128009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).