1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine

C17H22N4 — CID 111963065

IUPAC1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccc2cccnc12)NC1CC1C
InChIInChI=1S/C17H22N4/c1-3-18-17(21-15-10-12(15)2)20-11-14-7-4-6-13-8-5-9-19-16(13)14/h4-9,12,15H,3,10-11H2,1-2H3,(H2,18,20,21)
InChIKeyNXTKVENPFWVFTR-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.70
Rot. Bonds4

About 1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine

1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine (PubChem CID 111963065) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine
PubChem CID111963065
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccc2cccnc12)NC1CC1C
InChIInChI=1S/C17H22N4/c1-3-18-17(21-15-10-12(15)2)20-11-14-7-4-6-13-8-5-9-19-16(13)14/h4-9,12,15H,3,10-11H2,1-2H3,(H2,18,20,21)
InChIKeyNXTKVENPFWVFTR-UHFFFAOYSA-N
XLogP2.70
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.70
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-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111891520
1-ethyl-3-(2-methylcyclopropyl)-2-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 119151827
tert-butyl 3-[[N-ethyl-N'-(quinolin-8-ylmethyl)carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109466351
1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine
CID 111896417
1-ethyl-3-[(2-fluorophenyl)methyl]-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111266314
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-ethyl-2-(quinolin-8-ylmethyl)guanidine
CID 109387115
2-[[N-ethyl-N'-(quinolin-8-ylmethyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365060
1-(3-ethoxypropyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111224230
1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine
CID 111370871
1-ethyl-3-(2-methylcyclopropyl)-2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine
CID 111690508
1-ethyl-2-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine
CID 111359484
1-ethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(quinolin-8-ylmethyl)guanidine
CID 111851948

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine (CID 111963065) is 1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine is CCN/C(=N\Cc1cccc2cccnc12)NC1CC1C.
What is the InChIKey of 1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine?
The InChIKey is NXTKVENPFWVFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-18-17(21-15-10-12(15)2)20-11-14-7-4-6-13-8-5-9-19-16(13)14/h4-9,12,15H,3,10-11H2,1-2H3,(H2,18,20,21).
What are the key properties of 1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine?
1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine has a molecular weight of 282.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine is sourced from PubChem (CID 111963065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).