1-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine

C17H29N3O2 — CID 111151842

IUPAC1-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine
SMILESCCCCN/C(=N/CC(O)COCc1ccccc1)NCC
InChIInChI=1S/C17H29N3O2/c1-3-5-11-19-17(18-4-2)20-12-16(21)14-22-13-15-9-7-6-8-10-15/h6-10,16,21H,3-5,11-14H2,1-2H3,(H2,18,19,20)
InChIKeyDGZGNLZFUPVQMN-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.92
Rot. Bonds10

About 1-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine

1-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine (PubChem CID 111151842) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine.

Molecular Properties

Compound Name1-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine
PubChem CID111151842
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine
SMILESCCCCN/C(=N/CC(O)COCc1ccccc1)NCC
InChIInChI=1S/C17H29N3O2/c1-3-5-11-19-17(18-4-2)20-12-16(21)14-22-13-15-9-7-6-8-10-15/h6-10,16,21H,3-5,11-14H2,1-2H3,(H2,18,19,20)
InChIKeyDGZGNLZFUPVQMN-UHFFFAOYSA-N
XLogP1.92
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-butoxypropyl)-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine
CID 111238693
1-tert-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine
CID 110964785
1-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000790
1-ethyl-2-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-pentylguanidine;hydroiodide
CID 111130459
1-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 111017379
1-ethyl-2-(2-methyl-3-phenylmethoxypropyl)-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111904483
1-ethyl-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111200055
1-[1-(1-benzofuran-2-yl)ethyl]-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine
CID 111378187
1-butyl-2-(2-methyl-3-phenylmethoxypropyl)guanidine
CID 111081849
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 109409922
1-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111529682
1-[1-(1-benzofuran-2-yl)ethyl]-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine;hydroiodide
CID 111378186

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine?
The IUPAC name of 1-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine (CID 111151842) is 1-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine.
What is the SMILES notation for 1-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine?
The canonical SMILES for 1-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine is CCCCN/C(=N/CC(O)COCc1ccccc1)NCC.
What is the InChIKey of 1-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine?
The InChIKey is DGZGNLZFUPVQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-3-5-11-19-17(18-4-2)20-12-16(21)14-22-13-15-9-7-6-8-10-15/h6-10,16,21H,3-5,11-14H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine?
1-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine has a molecular weight of 307.44 g/mol, XLogP of 1.92, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)guanidine is sourced from PubChem (CID 111151842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).