N-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

C14H25N5 — CID 109451863

IUPACN-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCCn1ccnc1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C14H25N5/c1-13(2)10-19(14(13,3)4)12(15-5)17-7-9-18-8-6-16-11-18/h6,8,11H,7,9-10H2,1-5H3,(H,15,17)
InChIKeySVMLMNAJFAPOAA-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.58
Rot. Bonds3

About N-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

N-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (PubChem CID 109451863) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
PubChem CID109451863
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC NameN-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCCn1ccnc1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C14H25N5/c1-13(2)10-19(14(13,3)4)12(15-5)17-7-9-18-8-6-16-11-18/h6,8,11H,7,9-10H2,1-5H3,(H,15,17)
InChIKeySVMLMNAJFAPOAA-UHFFFAOYSA-N
XLogP1.58
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-imidazol-1-ylethyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739396
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453028
N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744786
N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961738
N',2,2,3,3-pentamethyl-N-[3-(4-methylpyrazol-1-yl)propyl]azetidine-1-carboximidamide
CID 109451901
N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984740
N-(2-imidazol-1-ylethyl)-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110947319
N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453638
N',2,2,3,3-pentamethyl-N-[3-(4-methylpyrazol-1-yl)propyl]azetidine-1-carboximidamide;hydroiodide
CID 109451900
N-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143155
methyl 3-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]propanoate
CID 109453366
1-(2-imidazol-1-ylethyl)-3-methylurea
CID 58988197

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (CID 109451863) is N-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is C/N=C(\NCCn1ccnc1)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The InChIKey is SVMLMNAJFAPOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-13(2)10-19(14(13,3)4)12(15-5)17-7-9-18-8-6-16-11-18/h6,8,11H,7,9-10H2,1-5H3,(H,15,17).
What are the key properties of N-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
N-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide has a molecular weight of 263.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is sourced from PubChem (CID 109451863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).