2-methyl-1-(2-quinolin-8-ylethyl)guanidine

C13H16N4 — CID 78989907

IUPAC2-methyl-1-(2-quinolin-8-ylethyl)guanidine
SMILESC/N=C(\N)NCCc1cccc2cccnc12
InChIInChI=1S/C13H16N4/c1-15-13(14)17-9-7-11-5-2-4-10-6-3-8-16-12(10)11/h2-6,8H,7,9H2,1H3,(H3,14,15,17)
InChIKeyBFGQCWQNADULAR-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.31
Rot. Bonds3

About 2-methyl-1-(2-quinolin-8-ylethyl)guanidine

2-methyl-1-(2-quinolin-8-ylethyl)guanidine (PubChem CID 78989907) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-methyl-1-(2-quinolin-8-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-quinolin-8-ylethyl)guanidine
PubChem CID78989907
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-methyl-1-(2-quinolin-8-ylethyl)guanidine
SMILESC/N=C(\N)NCCc1cccc2cccnc12
InChIInChI=1S/C13H16N4/c1-15-13(14)17-9-7-11-5-2-4-10-6-3-8-16-12(10)11/h2-6,8H,7,9H2,1H3,(H3,14,15,17)
InChIKeyBFGQCWQNADULAR-UHFFFAOYSA-N
XLogP1.31
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.31
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-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 116510983
2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine
CID 111002709
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111193893
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 111339049
1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 110976485
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
CID 111207422
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
4-amino-2-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427876

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-quinolin-8-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-(2-quinolin-8-ylethyl)guanidine (CID 78989907) is 2-methyl-1-(2-quinolin-8-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-quinolin-8-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-quinolin-8-ylethyl)guanidine is C/N=C(\N)NCCc1cccc2cccnc12.
What is the InChIKey of 2-methyl-1-(2-quinolin-8-ylethyl)guanidine?
The InChIKey is BFGQCWQNADULAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-15-13(14)17-9-7-11-5-2-4-10-6-3-8-16-12(10)11/h2-6,8H,7,9H2,1H3,(H3,14,15,17).
What are the key properties of 2-methyl-1-(2-quinolin-8-ylethyl)guanidine?
2-methyl-1-(2-quinolin-8-ylethyl)guanidine has a molecular weight of 228.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-quinolin-8-ylethyl)guanidine is sourced from PubChem (CID 78989907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).