N-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide

C16H34N4O2 — CID 111748007

IUPACN-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC(C)(C)N(C)C)N1CCC(COCCOC)C1
InChIInChI=1S/C16H34N4O2/c1-16(2,19(4)5)13-18-15(17-3)20-8-7-14(11-20)12-22-10-9-21-6/h14H,7-13H2,1-6H3,(H,17,18)
InChIKeyFOAITXWSSLZXCO-UHFFFAOYSA-N
MW314.47 g/mol
LogP0.89
Rot. Bonds8

About N-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide

N-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 111748007) has the molecular formula C16H34N4O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
PubChem CID111748007
Molecular FormulaC16H34N4O2
Molecular Weight314.47 g/mol
Exact Mass314.27
IUPAC NameN-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC(C)(C)N(C)C)N1CCC(COCCOC)C1
InChIInChI=1S/C16H34N4O2/c1-16(2,19(4)5)13-18-15(17-3)20-8-7-14(11-20)12-22-10-9-21-6/h14H,7-13H2,1-6H3,(H,17,18)
InChIKeyFOAITXWSSLZXCO-UHFFFAOYSA-N
XLogP0.89
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111746458
3-(2-methoxyethoxymethyl)-N-[3-(2-methoxyethoxy)propyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111747201
N-[4-(2-methoxyethoxy)butyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111745993
tert-butyl N-[2-[[C-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]carbamate
CID 111745887
N-[2-[di(propan-2-yl)amino]ethyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111748023
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111747651
N-[[4-(dimethylamino)phenyl]methyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111746795
2-[[C-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]-N-propylacetamide
CID 111745523
N-[2-(ethylsulfonylamino)ethyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111745581
methyl 6-[[C-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]hexanoate;hydroiodide
CID 111748337
N-[(4-fluorophenyl)methyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111746011
3-(2-methoxyethoxymethyl)-N'-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111748087

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide (CID 111748007) is N-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide is C/N=C(\NCC(C)(C)N(C)C)N1CCC(COCCOC)C1.
What is the InChIKey of N-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is FOAITXWSSLZXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O2/c1-16(2,19(4)5)13-18-15(17-3)20-8-7-14(11-20)12-22-10-9-21-6/h14H,7-13H2,1-6H3,(H,17,18).
What are the key properties of N-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide?
N-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 314.47 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111748007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).