2-(3-methylbutyl)-1-(2-phenylethyl)guanidine

C14H23N3 — CID 111022873

IUPAC2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
SMILESCC(C)CC/N=C(\N)NCCc1ccccc1
InChIInChI=1S/C14H23N3/c1-12(2)8-10-16-14(15)17-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H3,15,16,17)
InChIKeyDAHILYKCSRQHLX-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.18
Rot. Bonds6

About 2-(3-methylbutyl)-1-(2-phenylethyl)guanidine

2-(3-methylbutyl)-1-(2-phenylethyl)guanidine (PubChem CID 111022873) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(3-methylbutyl)-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
PubChem CID111022873
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
SMILESCC(C)CC/N=C(\N)NCCc1ccccc1
InChIInChI=1S/C14H23N3/c1-12(2)8-10-16-14(15)17-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H3,15,16,17)
InChIKeyDAHILYKCSRQHLX-UHFFFAOYSA-N
XLogP2.18
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1,2-bis(2-phenylethyl)guanidine
CID 111022877
2-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]guanidine
CID 111814100
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 111042087
2-(3-methylbutyl)-1-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111039633
2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881
2-octyl-1-(2-phenylethyl)guanidine
CID 10903026
2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine
CID 111078707
1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111031333
N-[2-[[N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027913
2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine
CID 111022885
2-[2-(ethylsulfonylamino)ethyl]-1-(2-phenylethyl)guanidine
CID 111062557
2-[3-(diethylamino)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111025347

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-(3-methylbutyl)-1-(2-phenylethyl)guanidine (CID 111022873) is 2-(3-methylbutyl)-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-(3-methylbutyl)-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-(3-methylbutyl)-1-(2-phenylethyl)guanidine is CC(C)CC/N=C(\N)NCCc1ccccc1.
What is the InChIKey of 2-(3-methylbutyl)-1-(2-phenylethyl)guanidine?
The InChIKey is DAHILYKCSRQHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12(2)8-10-16-14(15)17-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H3,15,16,17).
What are the key properties of 2-(3-methylbutyl)-1-(2-phenylethyl)guanidine?
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine has a molecular weight of 233.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 111022873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).