1-(3-cyclohexyloxypropyl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine

C17H30N4O2 — CID 111786991

IUPAC1-(3-cyclohexyloxypropyl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine
SMILESCCc1cc(CN/C(=N\C)NCCCOC2CCCCC2)on1
InChIInChI=1S/C17H30N4O2/c1-3-14-12-16(23-21-14)13-20-17(18-2)19-10-7-11-22-15-8-5-4-6-9-15/h12,15H,3-11,13H2,1-2H3,(H2,18,19,20)
InChIKeyPHHMFAINHGKDBY-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.64
Rot. Bonds8

About 1-(3-cyclohexyloxypropyl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine

1-(3-cyclohexyloxypropyl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine (PubChem CID 111786991) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(3-cyclohexyloxypropyl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(3-cyclohexyloxypropyl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine
PubChem CID111786991
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name1-(3-cyclohexyloxypropyl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine
SMILESCCc1cc(CN/C(=N\C)NCCCOC2CCCCC2)on1
InChIInChI=1S/C17H30N4O2/c1-3-14-12-16(23-21-14)13-20-17(18-2)19-10-7-11-22-15-8-5-4-6-9-15/h12,15H,3-11,13H2,1-2H3,(H2,18,19,20)
InChIKeyPHHMFAINHGKDBY-UHFFFAOYSA-N
XLogP2.64
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111787110
1-(3-cyclohexyloxypropyl)-2-methyl-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine
CID 111398145
1-(3-cyclohexyloxypropyl)-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine
CID 111787025
1-(3-cyclohexyloxypropyl)-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methylguanidine
CID 111768401
1-(3-cyclopentyloxypropyl)-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111956442
1-(3-cyclohexyloxypropyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine
CID 111280601
1-(3-cyclohexyloxypropyl)-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111519096
1-[2-[di(propan-2-yl)amino]ethyl]-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine
CID 111783225
1-(2-cycloheptyloxyethyl)-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine;hydroiodide
CID 111575702
1-(3-cyclohexyloxypropyl)-3-[[4-(dimethylamino)phenyl]methyl]-2-methylguanidine
CID 111398241
1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine
CID 111946277
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 111178790

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyloxypropyl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-(3-cyclohexyloxypropyl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine (CID 111786991) is 1-(3-cyclohexyloxypropyl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-(3-cyclohexyloxypropyl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-(3-cyclohexyloxypropyl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine is CCc1cc(CN/C(=N\C)NCCCOC2CCCCC2)on1.
What is the InChIKey of 1-(3-cyclohexyloxypropyl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine?
The InChIKey is PHHMFAINHGKDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-3-14-12-16(23-21-14)13-20-17(18-2)19-10-7-11-22-15-8-5-4-6-9-15/h12,15H,3-11,13H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-cyclohexyloxypropyl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine?
1-(3-cyclohexyloxypropyl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine has a molecular weight of 322.45 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyloxypropyl)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 111786991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).