N',3,3-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

C16H33IN4O — CID 111739407

IUPACN',3,3-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC(C)(C)N1CCOCC1)N1CCC(C)(C)C1.I
InChIInChI=1S/C16H32N4O.HI/c1-15(2)6-7-19(13-15)14(17-5)18-12-16(3,4)20-8-10-21-11-9-20;/h6-13H2,1-5H3,(H,17,18);1H
InChIKeyCUZXEZAGVQEXOF-UHFFFAOYSA-N
MW424.37 g/mol
LogP2.02
Rot. Bonds3

About N',3,3-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

N',3,3-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111739407) has the molecular formula C16H33IN4O and a molecular weight of 424.37 g/mol. Its IUPAC name is N',3,3-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',3,3-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111739407
Molecular FormulaC16H33IN4O
Molecular Weight424.37 g/mol
Exact Mass424.17
IUPAC NameN',3,3-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC(C)(C)N1CCOCC1)N1CCC(C)(C)C1.I
InChIInChI=1S/C16H32N4O.HI/c1-15(2)6-7-19(13-15)14(17-5)18-12-16(3,4)20-8-10-21-11-9-20;/h6-13H2,1-5H3,(H,17,18);1H
InChIKeyCUZXEZAGVQEXOF-UHFFFAOYSA-N
XLogP2.02
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 52.02
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-(2-methyl-2-morpholin-4-ylpropyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144781
N-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739998
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 110913680
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 111830300
N',3,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111739118
tert-butyl N-[2-[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111738261
1-amino-N-(2-methyl-2-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 61248465
N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111996230
3-(4-methoxyphenyl)-N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111731772
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600
N',3,3-trimethyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111737974

Frequently Asked Questions

What is the IUPAC name of N',3,3-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',3,3-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111739407) is N',3,3-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',3,3-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',3,3-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCC(C)(C)N1CCOCC1)N1CCC(C)(C)C1.I.
What is the InChIKey of N',3,3-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is CUZXEZAGVQEXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O.HI/c1-15(2)6-7-19(13-15)14(17-5)18-12-16(3,4)20-8-10-21-11-9-20;/h6-13H2,1-5H3,(H,17,18);1H.
What are the key properties of N',3,3-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
N',3,3-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 424.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,3-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111739407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).