1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine

C16H23N3O — CID 122095621

IUPAC1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine
SMILESN/C(=N\C[C@@H]1CCO[C@H]1c1ccccc1)NC1CCC1
InChIInChI=1S/C16H23N3O/c17-16(19-14-7-4-8-14)18-11-13-9-10-20-15(13)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H3,17,18,19)/t13-,15-/m0/s1
InChIKeyAYGQLFGZTMNJEJ-ZFWWWQNUSA-N
MW273.38 g/mol
LogP2.22
Rot. Bonds4

About 1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine

1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine (PubChem CID 122095621) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine
PubChem CID122095621
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine
SMILESN/C(=N\C[C@@H]1CCO[C@H]1c1ccccc1)NC1CCC1
InChIInChI=1S/C16H23N3O/c17-16(19-14-7-4-8-14)18-11-13-9-10-20-15(13)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H3,17,18,19)/t13-,15-/m0/s1
InChIKeyAYGQLFGZTMNJEJ-ZFWWWQNUSA-N
XLogP2.22
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine?
The IUPAC name of 1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine (CID 122095621) is 1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine.
What is the SMILES notation for 1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine?
The canonical SMILES for 1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine is N/C(=N\C[C@@H]1CCO[C@H]1c1ccccc1)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine?
The InChIKey is AYGQLFGZTMNJEJ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H23N3O/c17-16(19-14-7-4-8-14)18-11-13-9-10-20-15(13)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H3,17,18,19)/t13-,15-/m0/s1.
What are the key properties of 1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine?
1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine has a molecular weight of 273.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine is sourced from PubChem (CID 122095621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).