1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine

C19H29N3O — CID 134121747

IUPAC1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine
SMILESOc1ccc(N/C(=N\C2CCCC2)NC2CCCCCC2)cc1
InChIInChI=1S/C19H29N3O/c23-18-13-11-17(12-14-18)22-19(21-16-9-5-6-10-16)20-15-7-3-1-2-4-8-15/h11-16,23H,1-10H2,(H2,20,21,22)
InChIKeyKPUUGQPNGGFUGO-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.42
Rot. Bonds3

About 1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine

1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine (PubChem CID 134121747) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine.

Molecular Properties

Compound Name1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine
PubChem CID134121747
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine
SMILESOc1ccc(N/C(=N\C2CCCC2)NC2CCCCCC2)cc1
InChIInChI=1S/C19H29N3O/c23-18-13-11-17(12-14-18)22-19(21-16-9-5-6-10-16)20-15-7-3-1-2-4-8-15/h11-16,23H,1-10H2,(H2,20,21,22)
InChIKeyKPUUGQPNGGFUGO-UHFFFAOYSA-N
XLogP4.42
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.42
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
4-[(N,N'-dicyclohexylcarbamimidoyl)amino]benzoate
CID 163926985
1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine
CID 102321701
1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine
CID 134121750
2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine
CID 14746266
1,2-dicyclohexyl-3-(3,5-dichloro-4-methoxyphenyl)guanidine
CID 139721180
N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide
CID 116511348
1-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648
1,2-dicyclohexyl-3-(2,4-dimethoxyphenyl)guanidine
CID 23627147
1,2-dicyclohexyl-3-phenylmethoxyguanidine
CID 10426726
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine
CID 116512323

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine?
The IUPAC name of 1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine (CID 134121747) is 1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine.
What is the SMILES notation for 1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine?
The canonical SMILES for 1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine is Oc1ccc(N/C(=N\C2CCCC2)NC2CCCCCC2)cc1.
What is the InChIKey of 1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine?
The InChIKey is KPUUGQPNGGFUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c23-18-13-11-17(12-14-18)22-19(21-16-9-5-6-10-16)20-15-7-3-1-2-4-8-15/h11-16,23H,1-10H2,(H2,20,21,22).
What are the key properties of 1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine?
1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine has a molecular weight of 315.46 g/mol, XLogP of 4.42, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine is sourced from PubChem (CID 134121747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).