3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)guanidine

C19H26N4 — CID 111286549

IUPAC3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccn1)N(C)Cc1ccccc1C
InChIInChI=1S/C19H26N4/c1-4-20-19(22-14-12-18-11-7-8-13-21-18)23(3)15-17-10-6-5-9-16(17)2/h5-11,13H,4,12,14-15H2,1-3H3,(H,20,22)
InChIKeyJQYQILDQVLKSKR-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.03
Rot. Bonds6

About 3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)guanidine

3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111286549) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)guanidine
PubChem CID111286549
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccccn1)N(C)Cc1ccccc1C
InChIInChI=1S/C19H26N4/c1-4-20-19(22-14-12-18-11-7-8-13-21-18)23(3)15-17-10-6-5-9-16(17)2/h5-11,13H,4,12,14-15H2,1-3H3,(H,20,22)
InChIKeyJQYQILDQVLKSKR-UHFFFAOYSA-N
XLogP3.03
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(4-bromophenyl)methyl]-3-ethyl-1-methyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111292778
3-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine
CID 111287009
3-ethyl-2-[2-(2-hydroxy-3-methoxyphenyl)ethyl]-1-methyl-1-[(2-methylphenyl)methyl]guanidine
CID 111287493
3-ethyl-2-(3-methoxypropyl)-1-methyl-1-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111287588
methyl 3-[[ethylamino-[methyl-[(2-methylphenyl)methyl]amino]methylidene]amino]propanoate;hydroiodide
CID 111287458
2-[2-(diethylsulfamoyl)ethyl]-3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]guanidine
CID 111980201
3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-[4-(1,2,4-triazol-4-yl)butyl]guanidine
CID 111514338
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
2-[2-(benzenesulfonyl)ethyl]-3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]guanidine
CID 111287593
3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111286945
3-ethyl-2-[3-(methanesulfonamido)propyl]-1-methyl-1-[(2-methylphenyl)methyl]guanidine
CID 111286905
3-[[ethylamino-[methyl-[(2-methylphenyl)methyl]amino]methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 111286921

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)guanidine (CID 111286549) is 3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\CCc1ccccn1)N(C)Cc1ccccc1C.
What is the InChIKey of 3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is JQYQILDQVLKSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-4-20-19(22-14-12-18-11-7-8-13-21-18)23(3)15-17-10-6-5-9-16(17)2/h5-11,13H,4,12,14-15H2,1-3H3,(H,20,22).
What are the key properties of 3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)guanidine?
3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 310.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111286549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).