1-(2-hydroxyphenyl)-2-(2-methylcyclohexyl)-3-propan-2-ylguanidine

C17H27N3O — CID 134099367

IUPAC1-(2-hydroxyphenyl)-2-(2-methylcyclohexyl)-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\C1CCCCC1C)Nc1ccccc1O
InChIInChI=1S/C17H27N3O/c1-12(2)18-17(19-14-9-5-4-8-13(14)3)20-15-10-6-7-11-16(15)21/h6-7,10-14,21H,4-5,8-9H2,1-3H3,(H2,18,19,20)
InChIKeyKKLZLYMKEIZGKL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.74
Rot. Bonds3

About 1-(2-hydroxyphenyl)-2-(2-methylcyclohexyl)-3-propan-2-ylguanidine

1-(2-hydroxyphenyl)-2-(2-methylcyclohexyl)-3-propan-2-ylguanidine (PubChem CID 134099367) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-2-(2-methylcyclohexyl)-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-2-(2-methylcyclohexyl)-3-propan-2-ylguanidine
PubChem CID134099367
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(2-hydroxyphenyl)-2-(2-methylcyclohexyl)-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\C1CCCCC1C)Nc1ccccc1O
InChIInChI=1S/C17H27N3O/c1-12(2)18-17(19-14-9-5-4-8-13(14)3)20-15-10-6-7-11-16(15)21/h6-7,10-14,21H,4-5,8-9H2,1-3H3,(H2,18,19,20)
InChIKeyKKLZLYMKEIZGKL-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': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(2-hydroxyphenyl)-2-(2-methylcyclohexyl)-3-propan-2-ylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-1-(2-hydroxyphenyl)-3-(4-phenylbutan-2-yl)guanidine
CID 134122012
1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine
CID 134099452
N-(2-hydroxyphenyl)-N'-propan-2-yloxamide
CID 108503255
1-(2-hydroxyphenyl)-3-(2-methylcyclohexyl)-2-(oxolan-2-ylmethyl)guanidine
CID 134099454
N-propan-2-yl-7-[(1R,2R)-2-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]cyclohexyl]iminocyclohepta-1,3,5-trien-1-amine
CID 101236708
1-cycloheptyl-2-(3-ethoxypropyl)-3-(2-hydroxyphenyl)guanidine
CID 134091630
N-(3-hydroxyphenyl)-3,5-dimethyl-N'-(2-methylcyclohexyl)piperidine-1-carboximidamide
CID 134121693
N-cyclopropyl-N'-(2-hydroxyphenyl)oxamide
CID 108514360
2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide
CID 14234666
2-hydroxy-N-(2-hydroxyphenyl)propanamide
CID 83768320
1-phenyl-2-(2-propan-2-ylcyclohexyl)guanidine
CID 78965901
N-(2-methylcyclohexyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500534

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-2-(2-methylcyclohexyl)-3-propan-2-ylguanidine?
The IUPAC name of 1-(2-hydroxyphenyl)-2-(2-methylcyclohexyl)-3-propan-2-ylguanidine (CID 134099367) is 1-(2-hydroxyphenyl)-2-(2-methylcyclohexyl)-3-propan-2-ylguanidine.
What is the SMILES notation for 1-(2-hydroxyphenyl)-2-(2-methylcyclohexyl)-3-propan-2-ylguanidine?
The canonical SMILES for 1-(2-hydroxyphenyl)-2-(2-methylcyclohexyl)-3-propan-2-ylguanidine is CC(C)N/C(=N\C1CCCCC1C)Nc1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-2-(2-methylcyclohexyl)-3-propan-2-ylguanidine?
The InChIKey is KKLZLYMKEIZGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)18-17(19-14-9-5-4-8-13(14)3)20-15-10-6-7-11-16(15)21/h6-7,10-14,21H,4-5,8-9H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2-hydroxyphenyl)-2-(2-methylcyclohexyl)-3-propan-2-ylguanidine?
1-(2-hydroxyphenyl)-2-(2-methylcyclohexyl)-3-propan-2-ylguanidine 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-(2-hydroxyphenyl)-2-(2-methylcyclohexyl)-3-propan-2-ylguanidine is sourced from PubChem (CID 134099367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).