1-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine

C13H25N3O2 — CID 104704491

IUPAC1-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
SMILESCOC1(C/N=C(\N)NC2CCCCC2)CCOC1
InChIInChI=1S/C13H25N3O2/c1-17-13(7-8-18-10-13)9-15-12(14)16-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H3,14,15,16)
InChIKeyCZYMJAJGOSRGMX-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.03
Rot. Bonds4

About 1-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine

1-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine (PubChem CID 104704491) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
PubChem CID104704491
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
SMILESCOC1(C/N=C(\N)NC2CCCCC2)CCOC1
InChIInChI=1S/C13H25N3O2/c1-17-13(7-8-18-10-13)9-15-12(14)16-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H3,14,15,16)
InChIKeyCZYMJAJGOSRGMX-UHFFFAOYSA-N
XLogP1.03
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-Cyclohexyl-2-[(2-methyloxolan-2-yl)methyl]guanidine
CID 80178280
1-Cyclopropyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104704459
1-[(3-Methoxyoxolan-3-yl)methyl]-2-methylguanidine
CID 104704460
1-Ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104704486
2-[(3-Methoxyoxolan-3-yl)methyl]-1-propan-2-ylguanidine
CID 104704488
2-[(3-Methoxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine
CID 104704489
2-[(3-Methoxyoxolan-3-yl)methyl]-1-propylguanidine
CID 104704492
1-Amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104888799
1-Cyclohexyl-2-[(3-hydroxyoxolan-3-yl)methyl]guanidine
CID 106102001
1-Cyclohexyl-2-(2-hydroxy-4-methoxy-2-methylbutyl)guanidine
CID 106257190
1-Cyclohexyl-2-[(2-methyloxolan-2-yl)methyl]guanidine;hydroiodide
CID 112107313
1-Cyclohexyl-2-[3-(oxolan-3-yloxy)propyl]guanidine;hydroiodide
CID 112228356

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine (CID 104704491) is 1-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine is COC1(C/N=C(\N)NC2CCCCC2)CCOC1.
What is the InChIKey of 1-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The InChIKey is CZYMJAJGOSRGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-17-13(7-8-18-10-13)9-15-12(14)16-11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H3,14,15,16).
What are the key properties of 1-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
1-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine has a molecular weight of 255.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 104704491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).