2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine

C18H26N4 — CID 111002709

IUPAC2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine
SMILESC/N=C(/NCCc1cccc2cccnc12)NC(C)C(C)C
InChIInChI=1S/C18H26N4/c1-13(2)14(3)22-18(19-4)21-12-10-16-8-5-7-15-9-6-11-20-17(15)16/h5-9,11,13-14H,10,12H2,1-4H3,(H2,19,21,22)
InChIKeyWXYNETZUURORTQ-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.99
Rot. Bonds5

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

2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine (PubChem CID 111002709) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine
PubChem CID111002709
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine
SMILESC/N=C(/NCCc1cccc2cccnc12)NC(C)C(C)C
InChIInChI=1S/C18H26N4/c1-13(2)14(3)22-18(19-4)21-12-10-16-8-5-7-15-9-6-11-20-17(15)16/h5-9,11,13-14H,10,12H2,1-4H3,(H2,19,21,22)
InChIKeyWXYNETZUURORTQ-UHFFFAOYSA-N
XLogP2.99
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.99
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
1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 110976485
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
2-methyl-1-(2-quinolin-8-ylethyl)guanidine
CID 78989907
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
N-tert-butyl-2-[[N'-methyl-N-(2-quinolin-8-ylethyl)carbamimidoyl]amino]acetamide
CID 111383121
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111682143
2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111673037
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine?
The IUPAC name of 2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine (CID 111002709) is 2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine?
The canonical SMILES for 2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine is C/N=C(/NCCc1cccc2cccnc12)NC(C)C(C)C.
What is the InChIKey of 2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine?
The InChIKey is WXYNETZUURORTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-13(2)14(3)22-18(19-4)21-12-10-16-8-5-7-15-9-6-11-20-17(15)16/h5-9,11,13-14H,10,12H2,1-4H3,(H2,19,21,22).
What are the key properties of 2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine?
2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine has a molecular weight of 298.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylbutan-2-yl)-3-(2-quinolin-8-ylethyl)guanidine is sourced from PubChem (CID 111002709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).