N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide

C16H26N4 — CID 110956598

IUPACN-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCN(C)c1ccccc1)N1CCCC1
InChIInChI=1S/C16H26N4/c1-3-17-16(20-12-7-8-13-20)18-11-14-19(2)15-9-5-4-6-10-15/h4-6,9-10H,3,7-8,11-14H2,1-2H3,(H,17,18)
InChIKeySHVNXGQYGQRDOI-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.18
Rot. Bonds5

About N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide

N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide (PubChem CID 110956598) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide
PubChem CID110956598
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCN(C)c1ccccc1)N1CCCC1
InChIInChI=1S/C16H26N4/c1-3-17-16(20-12-7-8-13-20)18-11-14-19(2)15-9-5-4-6-10-15/h4-6,9-10H,3,7-8,11-14H2,1-2H3,(H,17,18)
InChIKeySHVNXGQYGQRDOI-UHFFFAOYSA-N
XLogP2.18
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.18
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-ethyl-N'-[3-(N-methylanilino)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955759
4-acetyl-N-ethyl-N'-[3-(N-methylanilino)propyl]piperazine-1-carboximidamide
CID 110962977
N-ethyl-N'-[2-(N-methylanilino)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219236
N'-[3-[benzyl(methyl)amino]propyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956566
ethyl 1-[N-ethyl-N'-[3-(N-methylanilino)propyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156908
N-ethyl-N'-[4-(N-methylanilino)butyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206393
N-ethyl-N'-[3-(N-methylanilino)propyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111300477
N'-[2-(4-benzylpiperazin-1-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956186
N'-[2-(benzenesulfonyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110956071
1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine
CID 110992389
N-ethyl-N'-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-1-carboximidamide
CID 110956270
N-ethyl-N'-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111741654

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide (CID 110956598) is N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide is CCN/C(=N\CCN(C)c1ccccc1)N1CCCC1.
What is the InChIKey of N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide?
The InChIKey is SHVNXGQYGQRDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-17-16(20-12-7-8-13-20)18-11-14-19(2)15-9-5-4-6-10-15/h4-6,9-10H,3,7-8,11-14H2,1-2H3,(H,17,18).
What are the key properties of N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide?
N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide has a molecular weight of 274.41 g/mol, XLogP of 2.18, 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-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110956598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).