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

C19H26N4 — CID 111193666

IUPAC2-methyl-1-(3-phenylbutyl)-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1ccccn1)NCCC(C)c1ccccc1
InChIInChI=1S/C19H26N4/c1-16(17-8-4-3-5-9-17)11-14-22-19(20-2)23-15-12-18-10-6-7-13-21-18/h3-10,13,16H,11-12,14-15H2,1-2H3,(H2,20,22,23)
InChIKeyCPBGIDBMTADGKI-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.98
Rot. Bonds7

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

2-methyl-1-(3-phenylbutyl)-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111193666) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-methyl-1-(3-phenylbutyl)-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(3-phenylbutyl)-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111193666
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name2-methyl-1-(3-phenylbutyl)-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1ccccn1)NCCC(C)c1ccccc1
InChIInChI=1S/C19H26N4/c1-16(17-8-4-3-5-9-17)11-14-22-19(20-2)23-15-12-18-10-6-7-13-21-18/h3-10,13,16H,11-12,14-15H2,1-2H3,(H2,20,22,23)
InChIKeyCPBGIDBMTADGKI-UHFFFAOYSA-N
XLogP2.98
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.98
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-[3-[benzyl(methyl)amino]butyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111719596
2-methyl-1-[3-(4-propan-2-ylphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111549212
2-methyl-1-(2-phenylsulfanylpropyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111496099
1-butan-2-yl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 75534590
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111194186
2-methyl-1-(6-methylheptan-2-yl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111173162
1-amino-2-methyl-3-(3-phenylbutyl)guanidine
CID 116510927
2-methyl-1-[2-(N-methylanilino)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192223
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111194098
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194185
2-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193143
2,2-dimethyl-N-[2-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111193761

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-phenylbutyl)-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-(3-phenylbutyl)-3-(2-pyridin-2-ylethyl)guanidine (CID 111193666) is 2-methyl-1-(3-phenylbutyl)-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(3-phenylbutyl)-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(3-phenylbutyl)-3-(2-pyridin-2-ylethyl)guanidine is C/N=C(\NCCc1ccccn1)NCCC(C)c1ccccc1.
What is the InChIKey of 2-methyl-1-(3-phenylbutyl)-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is CPBGIDBMTADGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-16(17-8-4-3-5-9-17)11-14-22-19(20-2)23-15-12-18-10-6-7-13-21-18/h3-10,13,16H,11-12,14-15H2,1-2H3,(H2,20,22,23).
What are the key properties of 2-methyl-1-(3-phenylbutyl)-3-(2-pyridin-2-ylethyl)guanidine?
2-methyl-1-(3-phenylbutyl)-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 310.44 g/mol, XLogP of 2.98, 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-phenylbutyl)-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111193666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).