1-tert-butyl-2-(2-quinolin-2-ylethyl)guanidine

C16H22N4 — CID 119120802

IUPAC1-tert-butyl-2-(2-quinolin-2-ylethyl)guanidine
SMILESCC(C)(C)N/C(N)=N/CCc1ccc2ccccc2n1
InChIInChI=1S/C16H22N4/c1-16(2,3)20-15(17)18-11-10-13-9-8-12-6-4-5-7-14(12)19-13/h4-9H,10-11H2,1-3H3,(H3,17,18,20)
InChIKeyQVCUOZQLPXWABX-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.48
Rot. Bonds3

About 1-tert-butyl-2-(2-quinolin-2-ylethyl)guanidine

1-tert-butyl-2-(2-quinolin-2-ylethyl)guanidine (PubChem CID 119120802) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-quinolin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-(2-quinolin-2-ylethyl)guanidine
PubChem CID119120802
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-tert-butyl-2-(2-quinolin-2-ylethyl)guanidine
SMILESCC(C)(C)N/C(N)=N/CCc1ccc2ccccc2n1
InChIInChI=1S/C16H22N4/c1-16(2,3)20-15(17)18-11-10-13-9-8-12-6-4-5-7-14(12)19-13/h4-9H,10-11H2,1-3H3,(H3,17,18,20)
InChIKeyQVCUOZQLPXWABX-UHFFFAOYSA-N
XLogP2.48
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.48
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-tert-butyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111079535
1-tert-butyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111079534
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylguanidine;hydroiodide
CID 111033686
2-methyl-N-(2-quinolin-2-ylethyl)propan-2-amine
CID 62549000
1-tert-butyl-2-[2-(2-chlorophenyl)ethyl]guanidine
CID 111044364
1-tert-butyl-2-[2-(5-methylpyrazin-2-yl)ethyl]guanidine
CID 122098438
1-tert-butyl-2-[2-(4-tert-butylphenyl)ethyl]guanidine;hydroiodide
CID 111045125
1-tert-butyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 62364401
1-tert-butyl-2-(3-phenoxypropyl)guanidine
CID 55068831
1-tert-butyl-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine;hydroiodide
CID 111821251
2-(10-quinolin-2-yldecyl)quinoline;hydrate
CID 144702573
1-tert-butyl-2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]guanidine;hydroiodide
CID 119117825

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-quinolin-2-ylethyl)guanidine?
The IUPAC name of 1-tert-butyl-2-(2-quinolin-2-ylethyl)guanidine (CID 119120802) is 1-tert-butyl-2-(2-quinolin-2-ylethyl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-(2-quinolin-2-ylethyl)guanidine?
The canonical SMILES for 1-tert-butyl-2-(2-quinolin-2-ylethyl)guanidine is CC(C)(C)N/C(N)=N/CCc1ccc2ccccc2n1.
What is the InChIKey of 1-tert-butyl-2-(2-quinolin-2-ylethyl)guanidine?
The InChIKey is QVCUOZQLPXWABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-16(2,3)20-15(17)18-11-10-13-9-8-12-6-4-5-7-14(12)19-13/h4-9H,10-11H2,1-3H3,(H3,17,18,20).
What are the key properties of 1-tert-butyl-2-(2-quinolin-2-ylethyl)guanidine?
1-tert-butyl-2-(2-quinolin-2-ylethyl)guanidine has a molecular weight of 270.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-quinolin-2-ylethyl)guanidine is sourced from PubChem (CID 119120802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).