1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide

C18H25IN4 — CID 111968058

IUPAC1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccnc2ccccc12)NC1CCCCC1.I
InChIInChI=1S/C18H24N4.HI/c1-19-18(22-15-7-3-2-4-8-15)21-13-14-11-12-20-17-10-6-5-9-16(14)17;/h5-6,9-12,15H,2-4,7-8,13H2,1H3,(H2,19,21,22);1H
InChIKeyYQURNEFWYBULTR-UHFFFAOYSA-N
MW424.33 g/mol
LogP3.85
Rot. Bonds3

About 1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide

1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide (PubChem CID 111968058) has the molecular formula C18H25IN4 and a molecular weight of 424.33 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
PubChem CID111968058
Molecular FormulaC18H25IN4
Molecular Weight424.33 g/mol
Exact Mass424.11
IUPAC Name1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccnc2ccccc12)NC1CCCCC1.I
InChIInChI=1S/C18H24N4.HI/c1-19-18(22-15-7-3-2-4-8-15)21-13-14-11-12-20-17-10-6-5-9-16(14)17;/h5-6,9-12,15H,2-4,7-8,13H2,1H3,(H2,19,21,22);1H
InChIKeyYQURNEFWYBULTR-UHFFFAOYSA-N
XLogP3.85
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 53.85
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[N'-methyl-N-(quinolin-4-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111968839
1-cyclohexyl-3-(isoquinolin-1-ylmethyl)-2-methylguanidine
CID 110957626
1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111771191
2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111968660
2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111968454
2-methyl-1-(quinolin-4-ylmethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109406465
1-[(4-bromophenyl)methyl]-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111978589
1-cyclopentyl-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110992460
1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111978527
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-(quinolin-4-ylmethyl)guanidine
CID 111969015
1-cyclobutyl-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119140089
1-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110959252

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide (CID 111968058) is 1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide is C/N=C(\NCc1ccnc2ccccc12)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide?
The InChIKey is YQURNEFWYBULTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4.HI/c1-19-18(22-15-7-3-2-4-8-15)21-13-14-11-12-20-17-10-6-5-9-16(14)17;/h5-6,9-12,15H,2-4,7-8,13H2,1H3,(H2,19,21,22);1H.
What are the key properties of 1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide?
1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide has a molecular weight of 424.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111968058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).