2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine

C20H33N3O — CID 111979093

IUPAC2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CC(C)(C)Cc1ccccc1)NC1CCC(O)CC1
InChIInChI=1S/C20H33N3O/c1-4-21-19(23-17-10-12-18(24)13-11-17)22-15-20(2,3)14-16-8-6-5-7-9-16/h5-9,17-18,24H,4,10-15H2,1-3H3,(H2,21,22,23)
InChIKeyOXFLUTJCBKGJGM-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.11
Rot. Bonds6

About 2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine

2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine (PubChem CID 111979093) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
PubChem CID111979093
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CC(C)(C)Cc1ccccc1)NC1CCC(O)CC1
InChIInChI=1S/C20H33N3O/c1-4-21-19(23-17-10-12-18(24)13-11-17)22-15-20(2,3)14-16-8-6-5-7-9-16/h5-9,17-18,24H,4,10-15H2,1-3H3,(H2,21,22,23)
InChIKeyOXFLUTJCBKGJGM-UHFFFAOYSA-N
XLogP3.11
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.11
H-Bond Donors ≤ 53
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

2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190104
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-phenylmethoxyethyl)guanidine;hydroiodide
CID 111978883
2-[2-(4-bromophenyl)-2-methylpropyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190612
1-ethyl-2-[2-(4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111189673
2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979312
2-[3-[benzyl(methyl)amino]propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190428
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111190623
1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979521
1-(1-benzylpiperidin-4-yl)-2-[3-(dimethylamino)-2,2-dimethylpropyl]-3-ethylguanidine
CID 110986460
2-(3,3-diphenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190741
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111189359
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine
CID 111189172

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The IUPAC name of 2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine (CID 111979093) is 2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine.
What is the SMILES notation for 2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The canonical SMILES for 2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine is CCN/C(=N\CC(C)(C)Cc1ccccc1)NC1CCC(O)CC1.
What is the InChIKey of 2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The InChIKey is OXFLUTJCBKGJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-4-21-19(23-17-10-12-18(24)13-11-17)22-15-20(2,3)14-16-8-6-5-7-9-16/h5-9,17-18,24H,4,10-15H2,1-3H3,(H2,21,22,23).
What are the key properties of 2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine has a molecular weight of 331.50 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine is sourced from PubChem (CID 111979093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).