N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide

C20H34N4O2 — CID 110057178

IUPACN-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide
SMILESCC1(C)CN(/C(=N/CCN2CCOCC2)NCCc2ccco2)C1(C)C
InChIInChI=1S/C20H34N4O2/c1-19(2)16-24(20(19,3)4)18(21-8-7-17-6-5-13-26-17)22-9-10-23-11-14-25-15-12-23/h5-6,13H,7-12,14-16H2,1-4H3,(H,21,22)
InChIKeyPYQRZMJNXLSMIF-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.22
Rot. Bonds6

About N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide

N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide (PubChem CID 110057178) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide
PubChem CID110057178
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC NameN-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide
SMILESCC1(C)CN(/C(=N/CCN2CCOCC2)NCCc2ccco2)C1(C)C
InChIInChI=1S/C20H34N4O2/c1-19(2)16-24(20(19,3)4)18(21-8-7-17-6-5-13-26-17)22-9-10-23-11-14-25-15-12-23/h5-6,13H,7-12,14-16H2,1-4H3,(H,21,22)
InChIKeyPYQRZMJNXLSMIF-UHFFFAOYSA-N
XLogP2.22
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.22
H-Bond Donors ≤ 51
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)ethyl]-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydroiodide
CID 110059193
N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(oxolan-3-ylmethyl)azetidine-1-carboximidamide
CID 110057168
N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 111153989
N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733928
1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-propylguanidine
CID 111226057
1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylethyl)-3-prop-2-enylguanidine
CID 136924075
ethyl 4-[N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)carbamimidoyl]piperazine-1-carboxylate
CID 111163869
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide
CID 111167781
N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-[(4-sulfamoylphenyl)methyl]azetidine-1-carboximidamide
CID 110057162
1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 111159409
N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110947333
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111167780

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide (CID 110057178) is N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide is CC1(C)CN(/C(=N/CCN2CCOCC2)NCCc2ccco2)C1(C)C.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide?
The InChIKey is PYQRZMJNXLSMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-19(2)16-24(20(19,3)4)18(21-8-7-17-6-5-13-26-17)22-9-10-23-11-14-25-15-12-23/h5-6,13H,7-12,14-16H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide?
N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide has a molecular weight of 362.52 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide is sourced from PubChem (CID 110057178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).