N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide

C19H31N3O2 — CID 110057168

IUPACN-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide
SMILESCC1(C)CN(/C(=N/CC2CCOC2)NCCc2ccco2)C1(C)C
InChIInChI=1S/C19H31N3O2/c1-18(2)14-22(19(18,3)4)17(21-12-15-8-11-23-13-15)20-9-7-16-6-5-10-24-16/h5-6,10,15H,7-9,11-14H2,1-4H3,(H,20,21)
InChIKeyLZEGOPSCFJEINU-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide

N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide (PubChem CID 110057168) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide
PubChem CID110057168
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide
SMILESCC1(C)CN(/C(=N/CC2CCOC2)NCCc2ccco2)C1(C)C
InChIInChI=1S/C19H31N3O2/c1-18(2)14-22(19(18,3)4)17(21-12-15-8-11-23-13-15)20-9-7-16-6-5-10-24-16/h5-6,10,15H,7-9,11-14H2,1-4H3,(H,20,21)
InChIKeyLZEGOPSCFJEINU-UHFFFAOYSA-N
XLogP2.92
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
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-[2-(furan-2-yl)ethyl]-3-methyl-N'-(oxolan-3-ylmethyl)-3-propylpiperidine-1-carboximidamide
CID 110057590
N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide
CID 110057178
4-(3,4-dimethylphenyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide
CID 110061104
N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboximidamide
CID 110056190
3-(ethoxymethyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056641
2-ethyl-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 110057557
N-[2-(furan-2-yl)ethyl]-2-(oxolan-2-yl)-N'-(oxolan-3-ylmethyl)morpholine-4-carboximidamide
CID 110059054
4-(2-bicyclo[2.2.1]heptanyl)-N-[2-(furan-2-yl)ethyl]-N'-(oxolan-3-ylmethyl)piperazine-1-carboximidamide
CID 110056710
3-[2-(furan-2-yl)ethyl]-1-methyl-1-[(1-methylpyrrol-2-yl)methyl]-2-(oxolan-3-ylmethyl)guanidine
CID 110059768
3-[2-(furan-2-yl)ethyl]-1-methyl-2-(oxolan-3-ylmethyl)-1-pent-4-enylguanidine
CID 110057708
3-[2-(furan-2-yl)ethyl]-1-methyl-2-(oxolan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)guanidine
CID 110058074
N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-[(4-sulfamoylphenyl)methyl]azetidine-1-carboximidamide
CID 110057162

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide (CID 110057168) is N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide is CC1(C)CN(/C(=N/CC2CCOC2)NCCc2ccco2)C1(C)C.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide?
The InChIKey is LZEGOPSCFJEINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-18(2)14-22(19(18,3)4)17(21-12-15-8-11-23-13-15)20-9-7-16-6-5-10-24-16/h5-6,10,15H,7-9,11-14H2,1-4H3,(H,20,21).
What are the key properties of N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide?
N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide has a molecular weight of 333.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide is sourced from PubChem (CID 110057168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).