N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide

C13H28N4 — CID 111758730

IUPACN'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCNC(C)(C)C)N1CCCC1
InChIInChI=1S/C13H28N4/c1-5-14-12(17-10-6-7-11-17)15-8-9-16-13(2,3)4/h16H,5-11H2,1-4H3,(H,14,15)
InChIKeyKIANTLYPOYNCFW-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.44
Rot. Bonds4

About N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide

N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide (PubChem CID 111758730) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide
PubChem CID111758730
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCNC(C)(C)C)N1CCCC1
InChIInChI=1S/C13H28N4/c1-5-14-12(17-10-6-7-11-17)15-8-9-16-13(2,3)4/h16H,5-11H2,1-4H3,(H,14,15)
InChIKeyKIANTLYPOYNCFW-UHFFFAOYSA-N
XLogP1.44
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 110956103
tert-butyl 4-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]piperazine-1-carboxylate;hydroiodide
CID 110956629
N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110955385
N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955978
tert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate
CID 110956280
N-[2-[[ethylamino-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111367102
N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide
CID 111790182
N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide
CID 110956270
N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide
CID 111833709
N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119115570
tert-butyl N-[4-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]butan-2-yl]-N-methylcarbamate
CID 111826130
N-ethyl-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 131039665

Frequently Asked Questions

What is the IUPAC name of N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide (CID 111758730) is N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide is CCN/C(=N\CCNC(C)(C)C)N1CCCC1.
What is the InChIKey of N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide?
The InChIKey is KIANTLYPOYNCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-5-14-12(17-10-6-7-11-17)15-8-9-16-13(2,3)4/h16H,5-11H2,1-4H3,(H,14,15).
What are the key properties of N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide?
N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide has a molecular weight of 240.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111758730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).