N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide

C19H35N3O2 — CID 119152451

IUPACN-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
SMILESCCN/C(=N\CC1(O)CCCCC1)N1CCCC2(CCCOC2)C1
InChIInChI=1S/C19H35N3O2/c1-2-20-17(21-14-19(23)10-4-3-5-11-19)22-12-6-8-18(15-22)9-7-13-24-16-18/h23H,2-16H2,1H3,(H,20,21)
InChIKeyHZLPPAVMWSRVQE-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.54
Rot. Bonds3

About N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide

N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide (PubChem CID 119152451) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
PubChem CID119152451
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC NameN-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
SMILESCCN/C(=N\CC1(O)CCCCC1)N1CCCC2(CCCOC2)C1
InChIInChI=1S/C19H35N3O2/c1-2-20-17(21-14-19(23)10-4-3-5-11-19)22-12-6-8-18(15-22)9-7-13-24-16-18/h23H,2-16H2,1H3,(H,20,21)
InChIKeyHZLPPAVMWSRVQE-UHFFFAOYSA-N
XLogP2.54
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.54
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

N-ethyl-N'-[(1-methylcyclopropyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide;hydroiodide
CID 119161859
N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
CID 119152849
N-ethyl-N'-[(1-hydroxycyclobutyl)methyl]pyrrolidine-1-carboximidamide
CID 111546529
N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111994848
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111995001
N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144259
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 111210249
N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745157
N-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
CID 119154931
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-methylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111326971
N,2-diethyl-N'-[(1-hydroxycyclohexyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109486773
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744525

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide?
The IUPAC name of N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide (CID 119152451) is N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide is CCN/C(=N\CC1(O)CCCCC1)N1CCCC2(CCCOC2)C1.
What is the InChIKey of N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide?
The InChIKey is HZLPPAVMWSRVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-2-20-17(21-14-19(23)10-4-3-5-11-19)22-12-6-8-18(15-22)9-7-13-24-16-18/h23H,2-16H2,1H3,(H,20,21).
What are the key properties of N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide?
N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide has a molecular weight of 337.51 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide is sourced from PubChem (CID 119152451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).