1-ethyl-3-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine

C17H29N3O — CID 110973437

IUPAC1-ethyl-3-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1c(C)cc(C)cc1C)NCCCOC
InChIInChI=1S/C17H29N3O/c1-6-18-17(19-8-7-9-21-5)20-12-16-14(3)10-13(2)11-15(16)4/h10-11H,6-9,12H2,1-5H3,(H2,18,19,20)
InChIKeyKBXYDNDMIITCRY-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.70
Rot. Bonds7

About 1-ethyl-3-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine

1-ethyl-3-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine (PubChem CID 110973437) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-ethyl-3-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine
PubChem CID110973437
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-ethyl-3-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1c(C)cc(C)cc1C)NCCCOC
InChIInChI=1S/C17H29N3O/c1-6-18-17(19-8-7-9-21-5)20-12-16-14(3)10-13(2)11-15(16)4/h10-11H,6-9,12H2,1-5H3,(H2,18,19,20)
InChIKeyKBXYDNDMIITCRY-UHFFFAOYSA-N
XLogP2.70
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-ethyl-3-(2-methoxyethyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine;hydroiodide
CID 110939377
1-ethyl-2-[(3-fluoro-4-methylphenyl)methyl]-3-(3-methoxypropyl)guanidine
CID 110976361
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine;hydroiodide
CID 111235058
1-(3-methoxypropyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine
CID 110974067
1-ethyl-3-(5-methoxypentyl)-2-[(4-methylphenyl)methyl]guanidine
CID 111245139
1-ethyl-3-(3-methoxypropyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 110975117
2-[[4-(dimethylamino)-2-methylphenyl]methyl]-1-ethyl-3-(3-methoxypropyl)guanidine;hydroiodide
CID 111790453
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine
CID 110975009
1-ethyl-3-[3-(2-methoxyethoxy)propyl]-2-[(4-methylphenyl)methyl]guanidine
CID 111243949
1-ethyl-3-(3-methoxypropyl)-2-(thiophen-2-ylmethyl)guanidine
CID 110974619
1-ethyl-3-(5-methoxypentyl)-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360950
1-ethyl-3-(3-methoxypropyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110976103

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine (CID 110973437) is 1-ethyl-3-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine is CCN/C(=N\Cc1c(C)cc(C)cc1C)NCCCOC.
What is the InChIKey of 1-ethyl-3-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine?
The InChIKey is KBXYDNDMIITCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-18-17(19-8-7-9-21-5)20-12-16-14(3)10-13(2)11-15(16)4/h10-11H,6-9,12H2,1-5H3,(H2,18,19,20).
What are the key properties of 1-ethyl-3-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine?
1-ethyl-3-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine has a molecular weight of 291.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methoxypropyl)-2-[(2,4,6-trimethylphenyl)methyl]guanidine is sourced from PubChem (CID 110973437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).