N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3,3-dimethylpyrrolidine-1-carboximidamide

C16H34N4O — CID 111738153

IUPACN-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3,3-dimethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCCN(C)CCOC)N1CCC(C)(C)C1
InChIInChI=1S/C16H34N4O/c1-6-17-15(20-11-8-16(2,3)14-20)18-9-7-10-19(4)12-13-21-5/h6-14H2,1-5H3,(H,17,18)
InChIKeyDPVNNRLOGUZTIY-UHFFFAOYSA-N
MW298.48 g/mol
LogP1.65
Rot. Bonds8

About N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3,3-dimethylpyrrolidine-1-carboximidamide

N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3,3-dimethylpyrrolidine-1-carboximidamide (PubChem CID 111738153) has the molecular formula C16H34N4O and a molecular weight of 298.48 g/mol. Its IUPAC name is N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3,3-dimethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3,3-dimethylpyrrolidine-1-carboximidamide
PubChem CID111738153
Molecular FormulaC16H34N4O
Molecular Weight298.48 g/mol
Exact Mass298.27
IUPAC NameN-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3,3-dimethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCCN(C)CCOC)N1CCC(C)(C)C1
InChIInChI=1S/C16H34N4O/c1-6-17-15(20-11-8-16(2,3)14-20)18-9-7-10-19(4)12-13-21-5/h6-14H2,1-5H3,(H,17,18)
InChIKeyDPVNNRLOGUZTIY-UHFFFAOYSA-N
XLogP1.65
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111738961
N-ethyl-N'-(2-methoxyethyl)-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739561
N'-[7-(dimethylamino)heptyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111740191
N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methylpiperidine-1-carboximidamide
CID 111145450
methyl 7-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]heptanoate;hydroiodide
CID 111738108
N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111740404
methyl 3-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]propanoate;hydroiodide
CID 111739881
N-ethyl-N'-[3-(ethylsulfonylamino)propyl]-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111738960
N-ethyl-4-(4-fluorophenyl)-N'-[3-[2-methoxyethyl(methyl)amino]propyl]piperazine-1-carboximidamide
CID 111165691
N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-4-(4-methoxyphenyl)piperazine-1-carboximidamide
CID 111242577
N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745160
N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733557

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3,3-dimethylpyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3,3-dimethylpyrrolidine-1-carboximidamide (CID 111738153) is N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3,3-dimethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3,3-dimethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3,3-dimethylpyrrolidine-1-carboximidamide is CCN/C(=N\CCCN(C)CCOC)N1CCC(C)(C)C1.
What is the InChIKey of N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3,3-dimethylpyrrolidine-1-carboximidamide?
The InChIKey is DPVNNRLOGUZTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-6-17-15(20-11-8-16(2,3)14-20)18-9-7-10-19(4)12-13-21-5/h6-14H2,1-5H3,(H,17,18).
What are the key properties of N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3,3-dimethylpyrrolidine-1-carboximidamide?
N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3,3-dimethylpyrrolidine-1-carboximidamide has a molecular weight of 298.48 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3,3-dimethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111738153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).