N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide

C16H34N4O — CID 111736523

IUPACN'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)(C)CN(C)C)N1CCC(COC)C1
InChIInChI=1S/C16H34N4O/c1-7-17-15(18-12-16(2,3)13-19(4)5)20-9-8-14(10-20)11-21-6/h14H,7-13H2,1-6H3,(H,17,18)
InChIKeyZLNHATLTKQDYQQ-UHFFFAOYSA-N
MW298.47 g/mol
LogP1.51
Rot. Bonds7

About N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide

N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide (PubChem CID 111736523) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
PubChem CID111736523
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC NameN'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)(C)CN(C)C)N1CCC(COC)C1
InChIInChI=1S/C16H34N4O/c1-7-17-15(18-12-16(2,3)13-19(4)5)20-9-8-14(10-20)11-21-6/h14H,7-13H2,1-6H3,(H,17,18)
InChIKeyZLNHATLTKQDYQQ-UHFFFAOYSA-N
XLogP1.51
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 51.51
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'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526996
N'-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111737302
N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109444046
N-ethyl-N'-(2-methoxyethyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111736890
N-ethyl-3-(methoxymethyl)-N'-prop-2-ynylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143443
N-ethyl-3-(methoxymethyl)-N'-[(2-methylcyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119143385
N'-[2-[cyclopropyl(ethyl)amino]ethyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735228
N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742061
N-ethyl-N'-[2-(methanesulfonamido)ethyl]-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111736435
2-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111737204
N-cyclopentyl-3-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]propanamide
CID 111736603
N'-[(4-bromophenyl)methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111978372

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide (CID 111736523) is N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide is CCN/C(=N\CC(C)(C)CN(C)C)N1CCC(COC)C1.
What is the InChIKey of N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide?
The InChIKey is ZLNHATLTKQDYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-7-17-15(18-12-16(2,3)13-19(4)5)20-9-8-14(10-20)11-21-6/h14H,7-13H2,1-6H3,(H,17,18).
What are the key properties of N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide?
N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide has a molecular weight of 298.47 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)-2,2-dimethylpropyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111736523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).