N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide

C18H29N3O3 — CID 119156986

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
SMILESC/N=C(\NCC(C)(O)c1ccco1)N1CCCC2(CCCOC2)C1
InChIInChI=1S/C18H29N3O3/c1-17(22,15-6-3-11-24-15)12-20-16(19-2)21-9-4-7-18(13-21)8-5-10-23-14-18/h3,6,11,22H,4-5,7-10,12-14H2,1-2H3,(H,19,20)
InChIKeyUJEJHSZAXNGPES-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.96
Rot. Bonds3

About N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide (PubChem CID 119156986) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
PubChem CID119156986
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
SMILESC/N=C(\NCC(C)(O)c1ccco1)N1CCCC2(CCCOC2)C1
InChIInChI=1S/C18H29N3O3/c1-17(22,15-6-3-11-24-15)12-20-16(19-2)21-9-4-7-18(13-21)8-5-10-23-14-18/h3,6,11,22H,4-5,7-10,12-14H2,1-2H3,(H,19,20)
InChIKeyUJEJHSZAXNGPES-UHFFFAOYSA-N
XLogP1.96
TPSA70.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119139679
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-4-(2-methylpropanoyl)piperazine-1-carboximidamide;hydroiodide
CID 119139695
N-(2-benzylsulfinylethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
CID 119159669
N-(2-cyclohexyl-2-hydroxyethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
CID 119154931
4-[(5-chlorothiophen-2-yl)methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 119139715
N'-methyl-N-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
CID 119159671
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732603
N-ethyl-N'-[(1-methylcyclopropyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide;hydroiodide
CID 119161859
N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
CID 119152451
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111671829
1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-enylguanidine
CID 119139399
1-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine
CID 119141885

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide (CID 119156986) is N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide is C/N=C(\NCC(C)(O)c1ccco1)N1CCCC2(CCCOC2)C1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide?
The InChIKey is UJEJHSZAXNGPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-17(22,15-6-3-11-24-15)12-20-16(19-2)21-9-4-7-18(13-21)8-5-10-23-14-18/h3,6,11,22H,4-5,7-10,12-14H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide has a molecular weight of 335.45 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide is sourced from PubChem (CID 119156986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).