1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine

C19H29N3O — CID 111625898

IUPAC1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine
SMILESC/N=C(\NCc1ccccc1OC1CCC1)NC1CCCCC1
InChIInChI=1S/C19H29N3O/c1-20-19(22-16-9-3-2-4-10-16)21-14-15-8-5-6-13-18(15)23-17-11-7-12-17/h5-6,8,13,16-17H,2-4,7,9-12,14H2,1H3,(H2,20,21,22)
InChIKeyFIANQBZAXFDWSE-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.62
Rot. Bonds5

About 1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine

1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine (PubChem CID 111625898) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine.

Molecular Properties

Compound Name1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine
PubChem CID111625898
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine
SMILESC/N=C(\NCc1ccccc1OC1CCC1)NC1CCCCC1
InChIInChI=1S/C19H29N3O/c1-20-19(22-16-9-3-2-4-10-16)21-14-15-8-5-6-13-18(15)23-17-11-7-12-17/h5-6,8,13,16-17H,2-4,7,9-12,14H2,1H3,(H2,20,21,22)
InChIKeyFIANQBZAXFDWSE-UHFFFAOYSA-N
XLogP3.62
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.62
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-cyclopentyl-3-[(2-cyclopentyloxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110989646
1-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111016781
1-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962948
1-[(2-cyclobutyloxyphenyl)methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111795682
1-tert-butyl-3-[(2-cyclopentyloxyphenyl)methyl]-2-methylguanidine
CID 110964191
1-[(2-cyclobutyloxyphenyl)methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111625845
1-cyclopentyl-3-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylguanidine
CID 111963781
1-cyclohexyl-3-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylguanidine
CID 110957364
1-[(2-cyclopentyloxyphenyl)methyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110939122
1-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110979644
1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111771191
1-[(2-cyclobutyloxyphenyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111625944

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine?
The IUPAC name of 1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine (CID 111625898) is 1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine.
What is the SMILES notation for 1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine?
The canonical SMILES for 1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine is C/N=C(\NCc1ccccc1OC1CCC1)NC1CCCCC1.
What is the InChIKey of 1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine?
The InChIKey is FIANQBZAXFDWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-20-19(22-16-9-3-2-4-10-16)21-14-15-8-5-6-13-18(15)23-17-11-7-12-17/h5-6,8,13,16-17H,2-4,7,9-12,14H2,1H3,(H2,20,21,22).
What are the key properties of 1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine?
1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine has a molecular weight of 315.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine is sourced from PubChem (CID 111625898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).