2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine

C18H24N4 — CID 111199624

IUPAC2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine
SMILESC/N=C(\NCCCc1ccccc1)NCCc1cccnc1
InChIInChI=1S/C18H24N4/c1-19-18(22-14-11-17-10-5-12-20-15-17)21-13-6-9-16-7-3-2-4-8-16/h2-5,7-8,10,12,15H,6,9,11,13-14H2,1H3,(H2,19,21,22)
InChIKeySIUXBHWCKAIXFT-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.42
Rot. Bonds7

About 2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine

2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine (PubChem CID 111199624) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine
PubChem CID111199624
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine
SMILESC/N=C(\NCCCc1ccccc1)NCCc1cccnc1
InChIInChI=1S/C18H24N4/c1-19-18(22-14-11-17-10-5-12-20-15-17)21-13-6-9-16-7-3-2-4-8-16/h2-5,7-8,10,12,15H,6,9,11,13-14H2,1H3,(H2,19,21,22)
InChIKeySIUXBHWCKAIXFT-UHFFFAOYSA-N
XLogP2.42
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.42
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-[3-(N-ethylanilino)propyl]-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111389820
2-methyl-1-(2-pyridin-3-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111295732
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111361148
2-methyl-1-(2-phenylsulfanylpropyl)-3-(2-pyridin-3-ylethyl)guanidine
CID 111677222
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111200249
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(2-pyridin-3-ylethyl)guanidine
CID 111338735
1-(4-cyclopentylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111608965
1-(2-ethylbutyl)-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111891206
2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(2-phenylethyl)guanidine
CID 111834921
2-methyl-1-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-(2-pyridin-3-ylethyl)guanidine
CID 111864062
1-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111248196
2-methyl-1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-(2-pyridin-3-ylethyl)guanidine
CID 111326488

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine (CID 111199624) is 2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine is C/N=C(\NCCCc1ccccc1)NCCc1cccnc1.
What is the InChIKey of 2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine?
The InChIKey is SIUXBHWCKAIXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-19-18(22-14-11-17-10-5-12-20-15-17)21-13-6-9-16-7-3-2-4-8-16/h2-5,7-8,10,12,15H,6,9,11,13-14H2,1H3,(H2,19,21,22).
What are the key properties of 2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine?
2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine has a molecular weight of 296.42 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine is sourced from PubChem (CID 111199624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).