N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide

C14H26F3N3O — CID 109451943

IUPACN',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide
SMILESC/N=C(\NCCCOCC(F)(F)F)N1CC(C)(C)C1(C)C
InChIInChI=1S/C14H26F3N3O/c1-12(2)9-20(13(12,3)4)11(18-5)19-7-6-8-21-10-14(15,16)17/h6-10H2,1-5H3,(H,18,19)
InChIKeyQYEGNJYRHFLPRR-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.65
Rot. Bonds5

About N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide

N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide (PubChem CID 109451943) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide
PubChem CID109451943
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC NameN',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide
SMILESC/N=C(\NCCCOCC(F)(F)F)N1CC(C)(C)C1(C)C
InChIInChI=1S/C14H26F3N3O/c1-12(2)9-20(13(12,3)4)11(18-5)19-7-6-8-21-10-14(15,16)17/h6-10H2,1-5H3,(H,18,19)
InChIKeyQYEGNJYRHFLPRR-UHFFFAOYSA-N
XLogP2.65
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide (CID 109451943) is N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide is C/N=C(\NCCCOCC(F)(F)F)N1CC(C)(C)C1(C)C.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide?
The InChIKey is QYEGNJYRHFLPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-12(2)9-20(13(12,3)4)11(18-5)19-7-6-8-21-10-14(15,16)17/h6-10H2,1-5H3,(H,18,19).
What are the key properties of N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide?
N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide has a molecular weight of 309.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide is sourced from PubChem (CID 109451943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).