1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine

C15H25N3O — CID 111665374

IUPAC1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine
SMILESCCC/N=C(\NCC)NCCC(O)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-3-11-17-15(16-4-2)18-12-10-14(19)13-8-6-5-7-9-13/h5-9,14,19H,3-4,10-12H2,1-2H3,(H2,16,17,18)
InChIKeyFGKWRSZLAKUOJE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.08
Rot. Bonds7

About 1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine

1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine (PubChem CID 111665374) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine.

Molecular Properties

Compound Name1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine
PubChem CID111665374
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine
SMILESCCC/N=C(\NCC)NCCC(O)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-3-11-17-15(16-4-2)18-12-10-14(19)13-8-6-5-7-9-13/h5-9,14,19H,3-4,10-12H2,1-2H3,(H2,16,17,18)
InChIKeyFGKWRSZLAKUOJE-UHFFFAOYSA-N
XLogP2.08
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.08
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-[4-(diethylamino)butyl]-1-ethyl-3-(3-hydroxy-3-phenylpropyl)guanidine
CID 111665790
1-ethyl-2-[3-(ethylsulfonylamino)propyl]-3-(3-hydroxy-3-phenylpropyl)guanidine;hydroiodide
CID 111665241
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-[3-(methanesulfonamido)propyl]guanidine;hydroiodide
CID 111664909
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-[4-(N-methylanilino)butyl]guanidine
CID 111665076
methyl 6-[[ethylamino-[(3-hydroxy-3-phenylpropyl)amino]methylidene]amino]hexanoate;hydroiodide
CID 111665531
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine
CID 111665824
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111665158
1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 111665389
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
CID 111665060
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-(3-hydroxy-3-phenylpropyl)guanidine;hydroiodide
CID 111665669
1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methylphenoxy)ethyl]guanidine
CID 111665070
1-ethyl-2-(3-hydroxy-3-phenylpropyl)-3-(2-prop-2-enylsulfanylethyl)guanidine
CID 111664962

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine?
The IUPAC name of 1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine (CID 111665374) is 1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine.
What is the SMILES notation for 1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine?
The canonical SMILES for 1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine is CCC/N=C(\NCC)NCCC(O)c1ccccc1.
What is the InChIKey of 1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine?
The InChIKey is FGKWRSZLAKUOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-11-17-15(16-4-2)18-12-10-14(19)13-8-6-5-7-9-13/h5-9,14,19H,3-4,10-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine?
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine has a molecular weight of 263.38 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-propylguanidine is sourced from PubChem (CID 111665374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).