2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine

C16H25N3O — CID 111190104

IUPAC2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1)NC1CCC(O)CC1
InChIInChI=1S/C16H25N3O/c1-2-17-16(18-12-13-6-4-3-5-7-13)19-14-8-10-15(20)11-9-14/h3-7,14-15,20H,2,8-12H2,1H3,(H2,17,18,19)
InChIKeyWCSVDYVTHNFQGM-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.05
Rot. Bonds4

About 2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine

2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine (PubChem CID 111190104) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
PubChem CID111190104
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1)NC1CCC(O)CC1
InChIInChI=1S/C16H25N3O/c1-2-17-16(18-12-13-6-4-3-5-7-13)19-14-8-10-15(20)11-9-14/h3-7,14-15,20H,2,8-12H2,1H3,(H2,17,18,19)
InChIKeyWCSVDYVTHNFQGM-UHFFFAOYSA-N
XLogP2.05
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.05
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

1-ethyl-3-(4-hydroxycyclohexyl)-2-[(4-methylphenyl)methyl]guanidine
CID 111190744
2-[(4-chlorophenyl)methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190887
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111189359
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(4-methylsulfanylphenyl)methyl]guanidine;hydroiodide
CID 111189457
1-ethyl-3-(4-hydroxycyclohexyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 111189463
2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979093
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111189167
4-[[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]methyl]benzamide
CID 111189594
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111190364
4-[[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]methyl]-N-methylbenzamide
CID 111189760
1-ethyl-3-(4-hydroxycyclohexyl)-2-[(4-methylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111189421
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111190569

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The IUPAC name of 2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine (CID 111190104) is 2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine.
What is the SMILES notation for 2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The canonical SMILES for 2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine is CCN/C(=N\Cc1ccccc1)NC1CCC(O)CC1.
What is the InChIKey of 2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The InChIKey is WCSVDYVTHNFQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-17-16(18-12-13-6-4-3-5-7-13)19-14-8-10-15(20)11-9-14/h3-7,14-15,20H,2,8-12H2,1H3,(H2,17,18,19).
What are the key properties of 2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine has a molecular weight of 275.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-ethyl-3-(4-hydroxycyclohexyl)guanidine is sourced from PubChem (CID 111190104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).