N,N,N'-trimethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

C12H26IN3 — CID 111734224

IUPACN,N,N'-trimethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\N(C)C)N1CCC(CC(C)C)C1.I
InChIInChI=1S/C12H25N3.HI/c1-10(2)8-11-6-7-15(9-11)12(13-3)14(4)5;/h10-11H,6-9H2,1-5H3;1H/b13-12+;
InChIKeyULIYVSKFMVMAQX-UEIGIMKUSA-N
MW339.27 g/mol
LogP2.52
Rot. Bonds2

About N,N,N'-trimethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

N,N,N'-trimethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111734224) has the molecular formula C12H26IN3 and a molecular weight of 339.27 g/mol. Its IUPAC name is N,N,N'-trimethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN,N,N'-trimethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111734224
Molecular FormulaC12H26IN3
Molecular Weight339.27 g/mol
Exact Mass339.12
IUPAC NameN,N,N'-trimethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\N(C)C)N1CCC(CC(C)C)C1.I
InChIInChI=1S/C12H25N3.HI/c1-10(2)8-11-6-7-15(9-11)12(13-3)14(4)5;/h10-11H,6-9H2,1-5H3;1H/b13-12+;
InChIKeyULIYVSKFMVMAQX-UEIGIMKUSA-N
XLogP2.52
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[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-[[2-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734110
N-cyclobutyl-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119154085
N-[3-[ethylsulfonyl(methyl)amino]propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734122
N,N-dimethyl-2-[[(2-methylpropylamino)-[3-(2-methylpropyl)pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 110041385
N-(2-ethylsulfonylethyl)-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734876
N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111733982
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[3-(2-methylpropyl)pyrrolidin-1-yl]methylidene]amino]acetamide
CID 111734965
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119159840
N-chloro-3-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 168862236
tert-butyl N-[2-[[N-methyl-C-[3-(2-methylpropyl)pyrrolidin-1-yl]carbonimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111734082

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N,N,N'-trimethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111734224) is N,N,N'-trimethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N,N,N'-trimethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N,N,N'-trimethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\N(C)C)N1CCC(CC(C)C)C1.I.
What is the InChIKey of N,N,N'-trimethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is ULIYVSKFMVMAQX-UEIGIMKUSA-N. The full InChI is InChI=1S/C12H25N3.HI/c1-10(2)8-11-6-7-15(9-11)12(13-3)14(4)5;/h10-11H,6-9H2,1-5H3;1H/b13-12+;.
What are the key properties of N,N,N'-trimethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
N,N,N'-trimethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 339.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111734224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).