2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine

C24H37N5O — CID 109478236

IUPAC2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
SMILESCCN/C(=N\Cc1cc(N(C)C)nc2ccccc12)NCC1(CCO)CCCCC1
InChIInChI=1S/C24H37N5O/c1-4-25-23(27-18-24(14-15-30)12-8-5-9-13-24)26-17-19-16-22(29(2)3)28-21-11-7-6-10-20(19)21/h6-7,10-11,16,30H,4-5,8-9,12-15,17-18H2,1-3H3,(H2,25,26,27)
InChIKeyRGZDEOSKVPIIHJ-UHFFFAOYSA-N
MW411.59 g/mol
LogP3.69
Rot. Bonds8

About 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine

2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine (PubChem CID 109478236) has the molecular formula C24H37N5O and a molecular weight of 411.59 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
PubChem CID109478236
Molecular FormulaC24H37N5O
Molecular Weight411.59 g/mol
Exact Mass411.30
IUPAC Name2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
SMILESCCN/C(=N\Cc1cc(N(C)C)nc2ccccc12)NCC1(CCO)CCCCC1
InChIInChI=1S/C24H37N5O/c1-4-25-23(27-18-24(14-15-30)12-8-5-9-13-24)26-17-19-16-22(29(2)3)28-21-11-7-6-10-20(19)21/h6-7,10-11,16,30H,4-5,8-9,12-15,17-18H2,1-3H3,(H2,25,26,27)
InChIKeyRGZDEOSKVPIIHJ-UHFFFAOYSA-N
XLogP3.69
TPSA72.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine with MolForge

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Related Compounds

2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109476525
2-[[N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide
CID 111775796
1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-2-(isoquinolin-1-ylmethyl)guanidine
CID 109476770
2-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109477416
1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-2-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 109476609
2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111776715
2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111774846
1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-2-[(2-nitrophenyl)methyl]guanidine
CID 109476896
1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 109477555
2-[(2-ethoxy-3-pyridinyl)methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109477915
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine;hydroiodide
CID 109477183
1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-2-[(1-phenylpyrazol-3-yl)methyl]guanidine
CID 109477398

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine?
The IUPAC name of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine (CID 109478236) is 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine.
What is the SMILES notation for 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine?
The canonical SMILES for 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine is CCN/C(=N\Cc1cc(N(C)C)nc2ccccc12)NCC1(CCO)CCCCC1.
What is the InChIKey of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine?
The InChIKey is RGZDEOSKVPIIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O/c1-4-25-23(27-18-24(14-15-30)12-8-5-9-13-24)26-17-19-16-22(29(2)3)28-21-11-7-6-10-20(19)21/h6-7,10-11,16,30H,4-5,8-9,12-15,17-18H2,1-3H3,(H2,25,26,27).
What are the key properties of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine?
2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine has a molecular weight of 411.59 g/mol, XLogP of 3.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine is sourced from PubChem (CID 109478236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).