N-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide

C19H35N3O2 — CID 119154931

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
SMILESC/N=C(\NCC(O)C1CCCCC1)N1CCCC2(CCCOC2)C1
InChIInChI=1S/C19H35N3O2/c1-20-18(21-13-17(23)16-7-3-2-4-8-16)22-11-5-9-19(14-22)10-6-12-24-15-19/h16-17,23H,2-15H2,1H3,(H,20,21)
InChIKeyIMTQWDVZLNRDJU-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.40
Rot. Bonds3

About N-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide

N-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide (PubChem CID 119154931) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
PubChem CID119154931
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
SMILESC/N=C(\NCC(O)C1CCCCC1)N1CCCC2(CCCOC2)C1
InChIInChI=1S/C19H35N3O2/c1-20-18(21-13-17(23)16-7-3-2-4-8-16)22-11-5-9-19(14-22)10-6-12-24-15-19/h16-17,23H,2-15H2,1H3,(H,20,21)
InChIKeyIMTQWDVZLNRDJU-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide (CID 119154931) is N-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide is C/N=C(\NCC(O)C1CCCCC1)N1CCCC2(CCCOC2)C1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide?
The InChIKey is IMTQWDVZLNRDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-20-18(21-13-17(23)16-7-3-2-4-8-16)22-11-5-9-19(14-22)10-6-12-24-15-19/h16-17,23H,2-15H2,1H3,(H,20,21).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide?
N-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide has a molecular weight of 337.51 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide is sourced from PubChem (CID 119154931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).