N',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide

C14H23N3S — CID 109453662

IUPACN',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide
SMILESC/N=C(\NCc1cccs1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C14H23N3S/c1-13(2)10-17(14(13,3)4)12(15-5)16-9-11-7-6-8-18-11/h6-8H,9-10H2,1-5H3,(H,15,16)
InChIKeyCNCVHCYGLCUIGR-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.94
Rot. Bonds2

About N',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide

N',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide (PubChem CID 109453662) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide
PubChem CID109453662
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide
SMILESC/N=C(\NCc1cccs1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C14H23N3S/c1-13(2)10-17(14(13,3)4)12(15-5)16-9-11-7-6-8-18-11/h6-8H,9-10H2,1-5H3,(H,15,16)
InChIKeyCNCVHCYGLCUIGR-UHFFFAOYSA-N
XLogP2.94
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-2,2,3,3-tetramethyl-N'-(thiophen-2-ylmethyl)azetidine-1-carboximidamide
CID 109453208
N',3,3-trimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111738016
N',2,2,3,3-pentamethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109451832
N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453353
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453334
N',2,2,3,3-pentamethyl-N-[(2-methylpyrazol-3-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109453024
N-benzyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
CID 109451915
N',2,2,3,3-pentamethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109452990
N',2,2,3,3-pentamethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109452932
N-[(4-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109452660
N-[[4-(methoxymethyl)phenyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453071
N-[[3-(methoxymethyl)phenyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453396

Frequently Asked Questions

What is the IUPAC name of N',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide (CID 109453662) is N',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide is C/N=C(\NCc1cccs1)N1CC(C)(C)C1(C)C.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide?
The InChIKey is CNCVHCYGLCUIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-13(2)10-17(14(13,3)4)12(15-5)16-9-11-7-6-8-18-11/h6-8H,9-10H2,1-5H3,(H,15,16).
What are the key properties of N',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide?
N',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide has a molecular weight of 265.43 g/mol, XLogP of 2.94, 2 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-(thiophen-2-ylmethyl)azetidine-1-carboximidamide is sourced from PubChem (CID 109453662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).