1,2-dicyclohexyl-3-phenylmethoxyguanidine

C20H31N3O — CID 10426726

IUPAC1,2-dicyclohexyl-3-phenylmethoxyguanidine
SMILESc1ccc(CON/C(=N\C2CCCCC2)NC2CCCCC2)cc1
InChIInChI=1S/C20H31N3O/c1-4-10-17(11-5-1)16-24-23-20(21-18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H2,21,22,23)
InChIKeyVQVVFRAPNOWJGG-UHFFFAOYSA-N
MW329.49 g/mol
LogP4.32
Rot. Bonds5

About 1,2-dicyclohexyl-3-phenylmethoxyguanidine

1,2-dicyclohexyl-3-phenylmethoxyguanidine (PubChem CID 10426726) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 1,2-dicyclohexyl-3-phenylmethoxyguanidine.

Molecular Properties

Compound Name1,2-dicyclohexyl-3-phenylmethoxyguanidine
PubChem CID10426726
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name1,2-dicyclohexyl-3-phenylmethoxyguanidine
SMILESc1ccc(CON/C(=N\C2CCCCC2)NC2CCCCC2)cc1
InChIInChI=1S/C20H31N3O/c1-4-10-17(11-5-1)16-24-23-20(21-18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H2,21,22,23)
InChIKeyVQVVFRAPNOWJGG-UHFFFAOYSA-N
XLogP4.32
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.32
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-phenylethyl N,N'-dicyclohexylcarbamimidate
CID 11727199
1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine
CID 134121747
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
(2,2,6,6-tetramethyl-4-phenylmethoxypiperidin-1-yl) N,N'-dicyclohexylcarbamimidate
CID 90959885
1,2-dicyclopentyl-3-(4-hydroxyphenyl)guanidine
CID 134121729
1-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648
1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine
CID 102321701
1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea
CID 47217884
(2-chlorophenyl)methyl N,N'-dicyclohexylcarbamimidate
CID 141252605
benzyl 3-amino-4-(cyclododecylamino)-4-oxobutanoate
CID 14373253
benzyl (3S)-3-amino-4-(cyclohexylamino)-4-oxobutanoate
CID 165352812
benzyl 5-(cyclohexylamino)-2,5-dioxopentanoate
CID 134398280

Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclohexyl-3-phenylmethoxyguanidine?
The IUPAC name of 1,2-dicyclohexyl-3-phenylmethoxyguanidine (CID 10426726) is 1,2-dicyclohexyl-3-phenylmethoxyguanidine.
What is the SMILES notation for 1,2-dicyclohexyl-3-phenylmethoxyguanidine?
The canonical SMILES for 1,2-dicyclohexyl-3-phenylmethoxyguanidine is c1ccc(CON/C(=N\C2CCCCC2)NC2CCCCC2)cc1.
What is the InChIKey of 1,2-dicyclohexyl-3-phenylmethoxyguanidine?
The InChIKey is VQVVFRAPNOWJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-4-10-17(11-5-1)16-24-23-20(21-18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H2,21,22,23).
What are the key properties of 1,2-dicyclohexyl-3-phenylmethoxyguanidine?
1,2-dicyclohexyl-3-phenylmethoxyguanidine has a molecular weight of 329.49 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexyl-3-phenylmethoxyguanidine is sourced from PubChem (CID 10426726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).