1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine

C17H27N3 — CID 111069108

IUPAC1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine
SMILESCC(C)C(C/N=C(\N)NCC1CCC1)c1ccccc1
InChIInChI=1S/C17H27N3/c1-13(2)16(15-9-4-3-5-10-15)12-20-17(18)19-11-14-7-6-8-14/h3-5,9-10,13-14,16H,6-8,11-12H2,1-2H3,(H3,18,19,20)
InChIKeyPJLHKKSAZUJFCO-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.13
Rot. Bonds6

About 1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine

1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine (PubChem CID 111069108) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine
PubChem CID111069108
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine
SMILESCC(C)C(C/N=C(\N)NCC1CCC1)c1ccccc1
InChIInChI=1S/C17H27N3/c1-13(2)16(15-9-4-3-5-10-15)12-20-17(18)19-11-14-7-6-8-14/h3-5,9-10,13-14,16H,6-8,11-12H2,1-2H3,(H3,18,19,20)
InChIKeyPJLHKKSAZUJFCO-UHFFFAOYSA-N
XLogP3.13
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.13
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-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111056450
1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine
CID 111081895
1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
CID 111099830
2-(3-methyl-2-phenylbutyl)-1-(2-methylprop-2-enyl)guanidine
CID 136921150
2-[2-(2-chlorophenoxy)propyl]-1-(cyclobutylmethyl)guanidine
CID 111821490
1-(cyclobutylmethyl)-2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine
CID 111803150
1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111820120
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111801107
1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide
CID 111067803
2-[2-(2-chlorophenoxy)butyl]-1-(cyclobutylmethyl)guanidine
CID 111752836
2-[2-(4-chlorophenoxy)propyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111820455
1-(cyclobutylmethyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine
CID 111029516

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine (CID 111069108) is 1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine is CC(C)C(C/N=C(\N)NCC1CCC1)c1ccccc1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine?
The InChIKey is PJLHKKSAZUJFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13(2)16(15-9-4-3-5-10-15)12-20-17(18)19-11-14-7-6-8-14/h3-5,9-10,13-14,16H,6-8,11-12H2,1-2H3,(H3,18,19,20).
What are the key properties of 1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine?
1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine has a molecular weight of 273.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine is sourced from PubChem (CID 111069108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).