2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(4-methylpentyl)guanidine

C17H30N4O — CID 111943205

IUPAC2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(4-methylpentyl)guanidine
SMILESCCN/C(=N\Cc1ccnc(OCC)c1)NCCCC(C)C
InChIInChI=1S/C17H30N4O/c1-5-18-17(20-10-7-8-14(3)4)21-13-15-9-11-19-16(12-15)22-6-2/h9,11-12,14H,5-8,10,13H2,1-4H3,(H2,18,20,21)
InChIKeyBMXKHQSGKFTXHV-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.97
Rot. Bonds9

About 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(4-methylpentyl)guanidine

2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(4-methylpentyl)guanidine (PubChem CID 111943205) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(4-methylpentyl)guanidine.

Molecular Properties

Compound Name2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(4-methylpentyl)guanidine
PubChem CID111943205
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(4-methylpentyl)guanidine
SMILESCCN/C(=N\Cc1ccnc(OCC)c1)NCCCC(C)C
InChIInChI=1S/C17H30N4O/c1-5-18-17(20-10-7-8-14(3)4)21-13-15-9-11-19-16(12-15)22-6-2/h9,11-12,14H,5-8,10,13H2,1-4H3,(H2,18,20,21)
InChIKeyBMXKHQSGKFTXHV-UHFFFAOYSA-N
XLogP2.97
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111386806
1-[5-(diethylamino)pentan-2-yl]-2-[(2-ethoxy-4-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
CID 110997672
2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide
CID 111712700
1-ethyl-2-[(6-methoxy-3-pyridinyl)methyl]-3-(4-methylpentyl)guanidine
CID 111942377
2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(4-fluorophenyl)methyl]guanidine
CID 111230891
2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111359261
1-[(2-ethoxy-4-pyridinyl)methyl]-3-ethyl-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111899778
2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111020732
1-[3-(3-ethoxy-4-methoxyphenyl)propyl]-3-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111574256
2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-ethyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111942662
methyl 5-[[[ethylamino-(4-methylpentylamino)methylidene]amino]methyl]-2-methoxybenzoate
CID 111942811
1-[(2-ethoxy-4-pyridinyl)methyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine
CID 111940329

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(4-methylpentyl)guanidine?
The IUPAC name of 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(4-methylpentyl)guanidine (CID 111943205) is 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(4-methylpentyl)guanidine.
What is the SMILES notation for 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(4-methylpentyl)guanidine?
The canonical SMILES for 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(4-methylpentyl)guanidine is CCN/C(=N\Cc1ccnc(OCC)c1)NCCCC(C)C.
What is the InChIKey of 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(4-methylpentyl)guanidine?
The InChIKey is BMXKHQSGKFTXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-5-18-17(20-10-7-8-14(3)4)21-13-15-9-11-19-16(12-15)22-6-2/h9,11-12,14H,5-8,10,13H2,1-4H3,(H2,18,20,21).
What are the key properties of 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(4-methylpentyl)guanidine?
2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(4-methylpentyl)guanidine has a molecular weight of 306.45 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-4-pyridinyl)methyl]-1-ethyl-3-(4-methylpentyl)guanidine is sourced from PubChem (CID 111943205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).