1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine

C17H25N3O — CID 134121729

IUPAC1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine
SMILESOc1ccc(N/C(=N/C2CCCC2)NC2CCCC2)cc1
InChIInChI=1S/C17H25N3O/c21-16-11-9-15(10-12-16)20-17(18-13-5-1-2-6-13)19-14-7-3-4-8-14/h9-14,21H,1-8H2,(H2,18,19,20)
InChIKeyGWVRXRWOUKSMBM-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.63
Rot. Bonds3

About 1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine

1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine (PubChem CID 134121729) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine.

Molecular Properties

Compound Name1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine
PubChem CID134121729
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine
SMILESOc1ccc(N/C(=N/C2CCCC2)NC2CCCC2)cc1
InChIInChI=1S/C17H25N3O/c21-16-11-9-15(10-12-16)20-17(18-13-5-1-2-6-13)19-14-7-3-4-8-14/h9-14,21H,1-8H2,(H2,18,19,20)
InChIKeyGWVRXRWOUKSMBM-UHFFFAOYSA-N
XLogP3.63
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.63
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-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine
CID 134121747
4-[(N,N'-dicyclohexylcarbamimidoyl)amino]benzoate
CID 163926985
1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine
CID 134121750
1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine
CID 102321701
2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine
CID 14746266
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine
CID 116512323
1,2-dicyclohexyl-3-(3,5-dichloro-4-methoxyphenyl)guanidine
CID 139721180
N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide
CID 116511348
1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine
CID 23627147
1,2-dicyclohexyl-3-phenylmethoxyguanidine
CID 10426726
1-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648

Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine?
The IUPAC name of 1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine (CID 134121729) is 1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine.
What is the SMILES notation for 1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine?
The canonical SMILES for 1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine is Oc1ccc(N/C(=N/C2CCCC2)NC2CCCC2)cc1.
What is the InChIKey of 1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine?
The InChIKey is GWVRXRWOUKSMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-16-11-9-15(10-12-16)20-17(18-13-5-1-2-6-13)19-14-7-3-4-8-14/h9-14,21H,1-8H2,(H2,18,19,20).
What are the key properties of 1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine?
1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine has a molecular weight of 287.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine is sourced from PubChem (CID 134121729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).