N',2,2,3,3-pentamethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide

C16H30IN5 — CID 109453857

IUPACN',2,2,3,3-pentamethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1c(C)nn(C)c1C)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C16H29N5.HI/c1-11-13(12(2)20(8)19-11)9-18-14(17-7)21-10-15(3,4)16(21,5)6;/h9-10H2,1-8H3,(H,17,18);1H
InChIKeyDBEMGQYHEVKIRI-UHFFFAOYSA-N
MW419.36 g/mol
LogP2.85
Rot. Bonds2

About N',2,2,3,3-pentamethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide

N',2,2,3,3-pentamethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide (PubChem CID 109453857) has the molecular formula C16H30IN5 and a molecular weight of 419.36 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
PubChem CID109453857
Molecular FormulaC16H30IN5
Molecular Weight419.36 g/mol
Exact Mass419.15
IUPAC NameN',2,2,3,3-pentamethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1c(C)nn(C)c1C)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C16H29N5.HI/c1-11-13(12(2)20(8)19-11)9-18-14(17-7)21-10-15(3,4)16(21,5)6;/h9-10H2,1-8H3,(H,17,18);1H
InChIKeyDBEMGQYHEVKIRI-UHFFFAOYSA-N
XLogP2.85
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 52.85
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119154241
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-methylpyrazol-3-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109453024
N'-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111545637
2-methyl-1-prop-2-enyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111548629
1-[(1-hydroxycyclohexyl)methyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 119153048
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453028
2-methyl-1-propyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111782738
2-sulfanyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 79237772
methyl 4-[[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]methyl]benzoate;hydroiodide
CID 109451908
N',2,2,3,3-pentamethyl-N-[3-(4-methylpyrazol-1-yl)propyl]azetidine-1-carboximidamide;hydroiodide
CID 109451900
2-methyl-1-(2-thiomorpholin-4-ylethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 119154497

Frequently Asked Questions

What is the IUPAC name of N',2,2,3,3-pentamethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide (CID 109453857) is N',2,2,3,3-pentamethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide is C/N=C(\NCc1c(C)nn(C)c1C)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide?
The InChIKey is DBEMGQYHEVKIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5.HI/c1-11-13(12(2)20(8)19-11)9-18-14(17-7)21-10-15(3,4)16(21,5)6;/h9-10H2,1-8H3,(H,17,18);1H.
What are the key properties of N',2,2,3,3-pentamethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide?
N',2,2,3,3-pentamethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide has a molecular weight of 419.36 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2,3,3-pentamethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109453857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).