1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine

C17H27N3O — CID 134121750

IUPAC1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine
SMILESCC(C)(C)C/N=C(/Nc1ccc(O)cc1)NC1CCCC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)12-18-16(19-13-6-4-5-7-13)20-14-8-10-15(21)11-9-14/h8-11,13,21H,4-7,12H2,1-3H3,(H2,18,19,20)
InChIKeyYRIQWRINBIOJMP-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.74
Rot. Bonds3

About 1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine

1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine (PubChem CID 134121750) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine
PubChem CID134121750
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine
SMILESCC(C)(C)C/N=C(/Nc1ccc(O)cc1)NC1CCCC1
InChIInChI=1S/C17H27N3O/c1-17(2,3)12-18-16(19-13-6-4-5-7-13)20-14-8-10-15(21)11-9-14/h8-11,13,21H,4-7,12H2,1-3H3,(H2,18,19,20)
InChIKeyYRIQWRINBIOJMP-UHFFFAOYSA-N
XLogP3.74
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine
CID 134121729
2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine
CID 134111402
1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine
CID 134121747
2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine
CID 134121977
2-(3-amino-2,2-dimethylpropyl)-1-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylguanidine
CID 134099414
2-(cyclopentylamino)-N-(4-hydroxyphenyl)acetamide
CID 54918004
1-[(1S,2S)-2-aminocyclohexyl]-3-[3,5-bis(trifluoromethyl)phenyl]-2-(2,2-dimethylpropyl)guanidine
CID 134099520
1-cyclohexyl-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 3710493
1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
CID 116513757
2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111256866
1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 110774513
N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide
CID 108958674

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine (CID 134121750) is 1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine is CC(C)(C)C/N=C(/Nc1ccc(O)cc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine?
The InChIKey is YRIQWRINBIOJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,3)12-18-16(19-13-6-4-5-7-13)20-14-8-10-15(21)11-9-14/h8-11,13,21H,4-7,12H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine?
1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine has a molecular weight of 289.42 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine is sourced from PubChem (CID 134121750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).