N-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

C13H27N3 — CID 109453036

IUPACN-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESCCCCN/C(=N\C)N1CC(C)(C)C1(C)C
InChIInChI=1S/C13H27N3/c1-7-8-9-15-11(14-6)16-10-12(2,3)13(16,4)5/h7-10H2,1-6H3,(H,14,15)
InChIKeyVVVCGSDQVWRLBU-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.48
Rot. Bonds3

About N-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

N-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (PubChem CID 109453036) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
PubChem CID109453036
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESCCCCN/C(=N\C)N1CC(C)(C)C1(C)C
InChIInChI=1S/C13H27N3/c1-7-8-9-15-11(14-6)16-10-12(2,3)13(16,4)5/h7-10H2,1-6H3,(H,14,15)
InChIKeyVVVCGSDQVWRLBU-UHFFFAOYSA-N
XLogP2.48
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

N-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109451729
N-ethyl-2,2,3,3-tetramethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]azetidine-1-carboximidamide
CID 109452065
N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide
CID 109452354
N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide
CID 109452355
N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide
CID 109452578
N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide
CID 109452579
N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide;hydroiodide
CID 109452760
N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide
CID 109452761
N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109452779
N-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109452943
N-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109453092
N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide
CID 109453551

Frequently Asked Questions

What is the IUPAC name of N-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The IUPAC name of N-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (CID 109453036) is N-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.
What is the SMILES notation for N-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The canonical SMILES for N-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is CCCCN/C(=N\C)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The InChIKey is VVVCGSDQVWRLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-7-8-9-15-11(14-6)16-10-12(2,3)13(16,4)5/h7-10H2,1-6H3,(H,14,15).
What are the key properties of N-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
N-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide has a molecular weight of 225.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is sourced from PubChem (CID 109453036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).