3-(5-cyclohexyloxypentyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine

C19H37N3O2 — CID 109385875

IUPAC3-(5-cyclohexyloxypentyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
SMILESC/N=C(/NCCCCCOC1CCCCC1)N(C)CC1CCOC1
InChIInChI=1S/C19H37N3O2/c1-20-19(22(2)15-17-11-14-23-16-17)21-12-7-4-8-13-24-18-9-5-3-6-10-18/h17-18H,3-16H2,1-2H3,(H,20,21)
InChIKeyNTAOALASSQLFHQ-UHFFFAOYSA-N
MW339.52 g/mol
LogP3.05
Rot. Bonds9

About 3-(5-cyclohexyloxypentyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine

3-(5-cyclohexyloxypentyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine (PubChem CID 109385875) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is 3-(5-cyclohexyloxypentyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name3-(5-cyclohexyloxypentyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
PubChem CID109385875
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name3-(5-cyclohexyloxypentyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
SMILESC/N=C(/NCCCCCOC1CCCCC1)N(C)CC1CCOC1
InChIInChI=1S/C19H37N3O2/c1-20-19(22(2)15-17-11-14-23-16-17)21-12-7-4-8-13-24-18-9-5-3-6-10-18/h17-18H,3-16H2,1-2H3,(H,20,21)
InChIKeyNTAOALASSQLFHQ-UHFFFAOYSA-N
XLogP3.05
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-[4-(2-methoxyethoxy)butyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386597
3-(3-fluoropropyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109384464
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 109382355
3-[3-(ethylsulfonylamino)propyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109382452
3-[2-(tert-butylamino)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386507
1,2-dimethyl-3-(2-methylsulfanylethyl)-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109382973
N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 109382398
3-[2-(tert-butylamino)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109386506
3-[3-(4-methoxyphenyl)propyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383846
1,2-dimethyl-3-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109386575
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]guanidine
CID 109382232
3-[2-(cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383952

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyloxypentyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 3-(5-cyclohexyloxypentyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine (CID 109385875) is 3-(5-cyclohexyloxypentyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 3-(5-cyclohexyloxypentyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 3-(5-cyclohexyloxypentyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine is C/N=C(/NCCCCCOC1CCCCC1)N(C)CC1CCOC1.
What is the InChIKey of 3-(5-cyclohexyloxypentyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
The InChIKey is NTAOALASSQLFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-20-19(22(2)15-17-11-14-23-16-17)21-12-7-4-8-13-24-18-9-5-3-6-10-18/h17-18H,3-16H2,1-2H3,(H,20,21).
What are the key properties of 3-(5-cyclohexyloxypentyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine?
3-(5-cyclohexyloxypentyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine has a molecular weight of 339.52 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyloxypentyl)-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 109385875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).