1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine

C22H33N3O2 — CID 111321784

IUPAC1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine
SMILESCCN/C(=N\CC(O)COCC(C)C)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C22H33N3O2/c1-5-23-22(24-13-21(26)15-27-14-16(2)3)25-17(4)19-11-10-18-8-6-7-9-20(18)12-19/h6-12,16-17,21,26H,5,13-15H2,1-4H3,(H2,23,24,25)
InChIKeyUDRLLPWZDYUINC-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.49
Rot. Bonds9

About 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine

1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine (PubChem CID 111321784) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine
PubChem CID111321784
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine
SMILESCCN/C(=N\CC(O)COCC(C)C)NC(C)c1ccc2ccccc2c1
InChIInChI=1S/C22H33N3O2/c1-5-23-22(24-13-21(26)15-27-14-16(2)3)25-17(4)19-11-10-18-8-6-7-9-20(18)12-19/h6-12,16-17,21,26H,5,13-15H2,1-4H3,(H2,23,24,25)
InChIKeyUDRLLPWZDYUINC-UHFFFAOYSA-N
XLogP3.49
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine;hydroiodide
CID 111321783
1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125934
1-ethyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine;hydroiodide
CID 111382468
1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-[1-(2-methoxy-5-methylphenyl)ethyl]guanidine;hydroiodide
CID 111386329
2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111321843
1-[1-(1-benzofuran-2-yl)ethyl]-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine
CID 111378187
1-[1-(1-benzofuran-2-yl)ethyl]-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine;hydroiodide
CID 111378186
1-ethyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[2-hydroxy-3-(3-methylphenoxy)propyl]guanidine;hydroiodide
CID 111382476
1-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000790
1-ethyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(1-naphthalen-2-ylethyl)guanidine
CID 111321824
2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545792
1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471203

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine (CID 111321784) is 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine is CCN/C(=N\CC(O)COCC(C)C)NC(C)c1ccc2ccccc2c1.
What is the InChIKey of 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine?
The InChIKey is UDRLLPWZDYUINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-5-23-22(24-13-21(26)15-27-14-16(2)3)25-17(4)19-11-10-18-8-6-7-9-20(18)12-19/h6-12,16-17,21,26H,5,13-15H2,1-4H3,(H2,23,24,25).
What are the key properties of 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine?
1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine has a molecular weight of 371.53 g/mol, XLogP of 3.49, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(1-naphthalen-2-ylethyl)guanidine is sourced from PubChem (CID 111321784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).