1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine

C19H26N4 — CID 111788533

IUPAC1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine
SMILESCCN/C(=N\Cc1ncccc1C)NCC(C)c1ccccc1
InChIInChI=1S/C19H26N4/c1-4-20-19(23-14-18-15(2)9-8-12-21-18)22-13-16(3)17-10-6-5-7-11-17/h5-12,16H,4,13-14H2,1-3H3,(H2,20,22,23)
InChIKeyNVITUJHKBBZIIN-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.25
Rot. Bonds6

About 1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine

1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine (PubChem CID 111788533) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine
PubChem CID111788533
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine
SMILESCCN/C(=N\Cc1ncccc1C)NCC(C)c1ccccc1
InChIInChI=1S/C19H26N4/c1-4-20-19(23-14-18-15(2)9-8-12-21-18)22-13-16(3)17-10-6-5-7-11-17/h5-12,16H,4,13-14H2,1-3H3,(H2,20,22,23)
InChIKeyNVITUJHKBBZIIN-UHFFFAOYSA-N
XLogP3.25
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
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-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 109410599
1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111548188
1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 116515248
1-ethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylpropyl)guanidine
CID 111342461
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-phenylpropyl)guanidine
CID 111593790
1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine
CID 111342533
1-ethyl-3-hexyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111787988
1-ethyl-2-[(3-fluoro-2-pyridinyl)methyl]-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109409789
2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-ethyl-3-(2-phenylpropyl)guanidine
CID 111342213
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111775325
1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111787827
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
CID 111621923

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine (CID 111788533) is 1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine is CCN/C(=N\Cc1ncccc1C)NCC(C)c1ccccc1.
What is the InChIKey of 1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine?
The InChIKey is NVITUJHKBBZIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-4-20-19(23-14-18-15(2)9-8-12-21-18)22-13-16(3)17-10-6-5-7-11-17/h5-12,16H,4,13-14H2,1-3H3,(H2,20,22,23).
What are the key properties of 1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine?
1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine has a molecular weight of 310.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine is sourced from PubChem (CID 111788533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).