N-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide

C19H25N3 — CID 110955638

IUPACN-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C19H25N3/c1-2-20-19(22-13-5-6-14-22)21-12-11-16-9-10-17-7-3-4-8-18(17)15-16/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,20,21)
InChIKeyQPAHAOJYUZERCI-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.44
Rot. Bonds4

About N-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide

N-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide (PubChem CID 110955638) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide
PubChem CID110955638
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC NameN-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C19H25N3/c1-2-20-19(22-13-5-6-14-22)21-12-11-16-9-10-17-7-3-4-8-18(17)15-16/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,20,21)
InChIKeyQPAHAOJYUZERCI-UHFFFAOYSA-N
XLogP3.44
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-(2-naphthalen-2-ylethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111302007
N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboximidamide
CID 110956806
N'-[2-(4-chlorophenyl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110955953
N-[4-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 110955547
N-ethyl-N'-[3-(3-methoxyphenyl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956437
N-ethyl-4-(2-hydroxyphenyl)-N'-[2-(3-hydroxyphenyl)ethyl]piperazine-1-carboximidamide
CID 111184476
N-ethyl-N'-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956679
N-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide
CID 110956662
N-ethyl-N'-(naphthalen-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205439
N-ethyl-N'-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956251
N-ethyl-N'-[2-(4-methoxyphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427919
N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)pyrrolidine-1-carboximidamide
CID 110956238

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide (CID 110955638) is N-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide is CCN/C(=N\CCc1ccc2ccccc2c1)N1CCCC1.
What is the InChIKey of N-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide?
The InChIKey is QPAHAOJYUZERCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-2-20-19(22-13-5-6-14-22)21-12-11-16-9-10-17-7-3-4-8-18(17)15-16/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,20,21).
What are the key properties of N-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide?
N-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide has a molecular weight of 295.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110955638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).