N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide

C13H28N4 — CID 110956270

IUPACN-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCN(C)C(C)C)N1CCCC1
InChIInChI=1S/C13H28N4/c1-5-14-13(17-9-6-7-10-17)15-8-11-16(4)12(2)3/h12H,5-11H2,1-4H3,(H,14,15)
InChIKeyOCSNJQOYIFCIPN-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.39
Rot. Bonds5

About N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide

N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide (PubChem CID 110956270) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide
PubChem CID110956270
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCN(C)C(C)C)N1CCCC1
InChIInChI=1S/C13H28N4/c1-5-14-13(17-9-6-7-10-17)15-8-11-16(4)12(2)3/h12H,5-11H2,1-4H3,(H,14,15)
InChIKeyOCSNJQOYIFCIPN-UHFFFAOYSA-N
XLogP1.39
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.39
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

N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110955978
N-ethyl-4-methyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111211328
4-acetyl-N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]piperazine-1-carboximidamide;hydroiodide
CID 110963956
methyl 1-[N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111254457
N-ethyl-N'-(5-methylhexyl)pyrrolidine-1-carboximidamide
CID 111790182
N-ethyl-N'-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-1-carboximidamide
CID 111833709
methyl 1-[N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252282
tert-butyl N-[4-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]butan-2-yl]-N-methylcarbamate
CID 111826130
N'-[2-[cyclopropyl(ethyl)amino]ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956268
N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide
CID 110956598
N-ethyl-N'-[3-[ethyl(methylsulfonyl)amino]propyl]pyrrolidine-1-carboximidamide
CID 110956756
N'-[2-(tert-butylamino)ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 111758730

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide (CID 110956270) is N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide is CCN/C(=N\CCN(C)C(C)C)N1CCCC1.
What is the InChIKey of N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide?
The InChIKey is OCSNJQOYIFCIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-5-14-13(17-9-6-7-10-17)15-8-11-16(4)12(2)3/h12H,5-11H2,1-4H3,(H,14,15).
What are the key properties of N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide?
N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide has a molecular weight of 240.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110956270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).