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

C12H23N3 — CID 109453668

IUPACN-cyclopropyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NC1CC1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C12H23N3/c1-11(2)8-15(12(11,3)4)10(13-5)14-9-6-7-9/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyTZHFTNWPENWMTQ-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.84
Rot. Bonds1

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

N-cyclopropyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (PubChem CID 109453668) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-cyclopropyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-cyclopropyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
PubChem CID109453668
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-cyclopropyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NC1CC1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C12H23N3/c1-11(2)8-15(12(11,3)4)10(13-5)14-9-6-7-9/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyTZHFTNWPENWMTQ-UHFFFAOYSA-N
XLogP1.84
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
CID 109454236
N-cyclohexyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide;hydroiodide
CID 109454235
N-(2-cyclopropylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453863
N-cyclopropyl-2-[3-[[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 109452668
N-cyclopropyl-N'-methylpyrrolidine-1-carboximidamide
CID 131225012
N-(3-methoxypropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453350
N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453870
N',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide
CID 109452148
methyl 3-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]propanoate
CID 109453366
N-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453954
N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453353
N-tert-butyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
CID 109451887

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The IUPAC name of N-cyclopropyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (CID 109453668) is N-cyclopropyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.
What is the SMILES notation for N-cyclopropyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The canonical SMILES for N-cyclopropyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is C/N=C(\NC1CC1)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-cyclopropyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The InChIKey is TZHFTNWPENWMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-11(2)8-15(12(11,3)4)10(13-5)14-9-6-7-9/h9H,6-8H2,1-5H3,(H,13,14).
What are the key properties of N-cyclopropyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
N-cyclopropyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide has a molecular weight of 209.34 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is sourced from PubChem (CID 109453668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).