N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide

C15H32N4 — CID 111740404

IUPACN'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCN(CC)CC)N1CCC(C)(C)C1
InChIInChI=1S/C15H32N4/c1-6-16-14(17-10-12-18(7-2)8-3)19-11-9-15(4,5)13-19/h6-13H2,1-5H3,(H,16,17)
InChIKeyOWOPTRYXRROZJH-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.03
Rot. Bonds6

About N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide

N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide (PubChem CID 111740404) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
PubChem CID111740404
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC NameN'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCN(CC)CC)N1CCC(C)(C)C1
InChIInChI=1S/C15H32N4/c1-6-16-14(17-10-12-18(7-2)8-3)19-11-9-15(4,5)13-19/h6-13H2,1-5H3,(H,16,17)
InChIKeyOWOPTRYXRROZJH-UHFFFAOYSA-N
XLogP2.03
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

methyl 3-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]propanoate;hydroiodide
CID 111739881
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'-[2-[2-methoxyethyl(methyl)amino]ethyl]-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111738961
N-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740359
N-ethyl-3,3-dimethyl-N'-(2-sulfamoylethyl)pyrrolidine-1-carboximidamide
CID 111740084
4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963138
N-ethyl-N'-[3-(ethylsulfonylamino)propyl]-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111738960
N-ethyl-N'-[3-[2-methoxyethyl(methyl)amino]propyl]-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111738153
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111995001
N'-[2-(diethylamino)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109454088
N-butan-2-yl-3-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]propanamide;hydroiodide
CID 111740081

Frequently Asked Questions

What is the IUPAC name of N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide (CID 111740404) is N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide is CCN/C(=N\CCN(CC)CC)N1CCC(C)(C)C1.
What is the InChIKey of N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide?
The InChIKey is OWOPTRYXRROZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-6-16-14(17-10-12-18(7-2)8-3)19-11-9-15(4,5)13-19/h6-13H2,1-5H3,(H,16,17).
What are the key properties of N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide?
N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide has a molecular weight of 268.45 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111740404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).