1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine

C13H17N5 — CID 116510983

IUPAC1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
SMILESC/N=C(\NN)NCCc1cccc2cccnc12
InChIInChI=1S/C13H17N5/c1-15-13(18-14)17-9-7-11-5-2-4-10-6-3-8-16-12(10)11/h2-6,8H,7,9,14H2,1H3,(H2,15,17,18)
InChIKeyQOMGJUXLWYHYOC-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.82
Rot. Bonds3

About 1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine

1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine (PubChem CID 116510983) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
PubChem CID116510983
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
SMILESC/N=C(\NN)NCCc1cccc2cccnc12
InChIInChI=1S/C13H17N5/c1-15-13(18-14)17-9-7-11-5-2-4-10-6-3-8-16-12(10)11/h2-6,8H,7,9,14H2,1H3,(H2,15,17,18)
InChIKeyQOMGJUXLWYHYOC-UHFFFAOYSA-N
XLogP0.82
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine
CID 116510984
2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine
CID 111002709
2-methyl-1-(2-quinolin-8-ylethyl)guanidine
CID 78989907
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
N-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide
CID 111383121
1-[(2,4-dimethylphenyl)methyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111937918
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 111388472
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
2-methyl-1-(2-quinolin-8-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111268199
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine (CID 116510983) is 1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine is C/N=C(\NN)NCCc1cccc2cccnc12.
What is the InChIKey of 1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine?
The InChIKey is QOMGJUXLWYHYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-15-13(18-14)17-9-7-11-5-2-4-10-6-3-8-16-12(10)11/h2-6,8H,7,9,14H2,1H3,(H2,15,17,18).
What are the key properties of 1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine?
1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine has a molecular weight of 243.31 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine is sourced from PubChem (CID 116510983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).