1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine

C15H23N3O — CID 111099830

IUPAC1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
SMILESN/C(=N\CC(O)Cc1ccccc1)NCC1CCC1
InChIInChI=1S/C15H23N3O/c16-15(17-10-13-7-4-8-13)18-11-14(19)9-12-5-2-1-3-6-12/h1-3,5-6,13-14,19H,4,7-11H2,(H3,16,17,18)
InChIKeyOGNDDAYLIQYTHT-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.29
Rot. Bonds6

About 1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine

1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine (PubChem CID 111099830) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
PubChem CID111099830
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
SMILESN/C(=N\CC(O)Cc1ccccc1)NCC1CCC1
InChIInChI=1S/C15H23N3O/c16-15(17-10-13-7-4-8-13)18-11-14(19)9-12-5-2-1-3-6-12/h1-3,5-6,13-14,19H,4,7-11H2,(H3,16,17,18)
InChIKeyOGNDDAYLIQYTHT-UHFFFAOYSA-N
XLogP1.29
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.29
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

1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine
CID 111081895
1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine
CID 111069108
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111801107
1-(cyclobutylmethyl)-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine
CID 111082633
1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111056450
2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111099775
2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide
CID 111099855
1-(cyclobutylmethyl)-2-[(4-phenylmethoxyphenyl)methyl]guanidine;hydroiodide
CID 111047621
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide
CID 111082042
2-[2-(2-chlorophenoxy)propyl]-1-(cyclobutylmethyl)guanidine
CID 111821490
1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111820120
1-(cyclopropylmethylamino)-3-phenylpropan-2-ol
CID 111104724

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine (CID 111099830) is 1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine is N/C(=N\CC(O)Cc1ccccc1)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine?
The InChIKey is OGNDDAYLIQYTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-15(17-10-13-7-4-8-13)18-11-14(19)9-12-5-2-1-3-6-12/h1-3,5-6,13-14,19H,4,7-11H2,(H3,16,17,18).
What are the key properties of 1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine?
1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine has a molecular weight of 261.37 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine is sourced from PubChem (CID 111099830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).