1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide

C15H26IN3O — CID 110950275

IUPAC1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)CO)NC(C)c1ccccc1.I
InChIInChI=1S/C15H25N3O.HI/c1-4-16-15(17-10-12(2)11-19)18-13(3)14-8-6-5-7-9-14;/h5-9,12-13,19H,4,10-11H2,1-3H3,(H2,16,17,18);1H
InChIKeyHBJSWFKPZXCZGO-UHFFFAOYSA-N
MW391.30 g/mol
LogP2.55
Rot. Bonds6

About 1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide

1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide (PubChem CID 110950275) has the molecular formula C15H26IN3O and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide
PubChem CID110950275
Molecular FormulaC15H26IN3O
Molecular Weight391.30 g/mol
Exact Mass391.11
IUPAC Name1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)CO)NC(C)c1ccccc1.I
InChIInChI=1S/C15H25N3O.HI/c1-4-16-15(17-10-12(2)11-19)18-13(3)14-8-6-5-7-9-14;/h5-9,12-13,19H,4,10-11H2,1-3H3,(H2,16,17,18);1H
InChIKeyHBJSWFKPZXCZGO-UHFFFAOYSA-N
XLogP2.55
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 52.55
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948673
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
1-[2-(diethylamino)-2-phenylethyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 111011337
1-ethyl-2-[2-(6-methyl-3-pyridinyl)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545744
2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 111545792
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-phenylethyl)guanidine
CID 110950048
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-(1-phenylethyl)guanidine
CID 110949344
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(1-phenylethyl)guanidine
CID 110949054
2-(2-butoxyethyl)-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950161
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949289
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-(1-phenylethyl)guanidine
CID 110949496
2-(2,2-diphenylethyl)-1,3-diethylguanidine
CID 110924816

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide (CID 110950275) is 1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide is CCN/C(=N\CC(C)CO)NC(C)c1ccccc1.I.
What is the InChIKey of 1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide?
The InChIKey is HBJSWFKPZXCZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.HI/c1-4-16-15(17-10-12(2)11-19)18-13(3)14-8-6-5-7-9-14;/h5-9,12-13,19H,4,10-11H2,1-3H3,(H2,16,17,18);1H.
What are the key properties of 1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide?
1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide has a molecular weight of 391.30 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(1-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110950275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).