2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine

C17H29N3O — CID 10991060

IUPAC2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine
SMILESCCCCCCC(O)C/N=C(\N)NCCc1ccccc1
InChIInChI=1S/C17H29N3O/c1-2-3-4-8-11-16(21)14-20-17(18)19-13-12-15-9-6-5-7-10-15/h5-7,9-10,16,21H,2-4,8,11-14H2,1H3,(H3,18,19,20)
InChIKeyHUVHXKJEHMEDNN-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.46
Rot. Bonds10

About 2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine

2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine (PubChem CID 10991060) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine
PubChem CID10991060
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine
SMILESCCCCCCC(O)C/N=C(\N)NCCc1ccccc1
InChIInChI=1S/C17H29N3O/c1-2-3-4-8-11-16(21)14-20-17(18)19-13-12-15-9-6-5-7-10-15/h5-7,9-10,16,21H,2-4,8,11-14H2,1H3,(H3,18,19,20)
InChIKeyHUVHXKJEHMEDNN-UHFFFAOYSA-N
XLogP2.46
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881
2-octyl-1-(2-phenylethyl)guanidine
CID 10903026
1,2-bis(2-phenylethyl)guanidine
CID 111022877
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873
1-octan-2-yl-2-(2-phenylethyl)guanidine
CID 10870662
2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111099775
2-(2-methylnonyl)-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111076559
2-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111082460
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide
CID 111099797
2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide
CID 111032233
2-(3-hydroxy-2-phenylpropyl)-1-octylguanidine;hydroiodide
CID 111799965
2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine
CID 111022885

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine (CID 10991060) is 2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine is CCCCCCC(O)C/N=C(\N)NCCc1ccccc1.
What is the InChIKey of 2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine?
The InChIKey is HUVHXKJEHMEDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-3-4-8-11-16(21)14-20-17(18)19-13-12-15-9-6-5-7-10-15/h5-7,9-10,16,21H,2-4,8,11-14H2,1H3,(H3,18,19,20).
What are the key properties of 2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine?
2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine has a molecular weight of 291.44 g/mol, XLogP of 2.46, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 10991060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).