N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

C17H33IN6 — CID 119159840

IUPACN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cnc(N(C)C)n1C)N1CCC(CC(C)C)C1.I
InChIInChI=1S/C17H32N6.HI/c1-13(2)9-14-7-8-23(12-14)16(18-3)19-10-15-11-20-17(21(4)5)22(15)6;/h11,13-14H,7-10,12H2,1-6H3,(H,18,19);1H
InChIKeyVICXCVLTACOHIM-UHFFFAOYSA-N
MW448.40 g/mol
LogP2.55
Rot. Bonds5

About N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 119159840) has the molecular formula C17H33IN6 and a molecular weight of 448.40 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID119159840
Molecular FormulaC17H33IN6
Molecular Weight448.40 g/mol
Exact Mass448.18
IUPAC NameN-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cnc(N(C)C)n1C)N1CCC(CC(C)C)C1.I
InChIInChI=1S/C17H32N6.HI/c1-13(2)9-14-7-8-23(12-14)16(18-3)19-10-15-11-20-17(21(4)5)22(15)6;/h11,13-14H,7-10,12H2,1-6H3,(H,18,19);1H
InChIKeyVICXCVLTACOHIM-UHFFFAOYSA-N
XLogP2.55
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119159796
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734110
N-[(6-methoxy-3-pyridinyl)methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734238
N-[7-(dimethylamino)heptyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734548
N-[2-[ethyl(methyl)amino]ethyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734420
N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119143353
N'-methyl-3-(2-methylpropyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111733988
N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 109405881
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 119159491
1-cyclopropyl-3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-methylguanidine
CID 119138379
N-[(2-methoxy-3-pyridinyl)methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734168
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 111734891

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 119159840) is N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCc1cnc(N(C)C)n1C)N1CCC(CC(C)C)C1.I.
What is the InChIKey of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is VICXCVLTACOHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6.HI/c1-13(2)9-14-7-8-23(12-14)16(18-3)19-10-15-11-20-17(21(4)5)22(15)6;/h11,13-14H,7-10,12H2,1-6H3,(H,18,19);1H.
What are the key properties of N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 448.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119159840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).