3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide

C14H21N3O — CID 107654576

IUPAC3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide
SMILESNCCC1CCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C14H21N3O/c15-8-6-13-7-9-17(11-13)14(18)16-10-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2,(H,16,18)
InChIKeySPAPTZRYDSAIFN-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.57
Rot. Bonds4

About 3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide

3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide (PubChem CID 107654576) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide
PubChem CID107654576
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide
SMILESNCCC1CCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C14H21N3O/c15-8-6-13-7-9-17(11-13)14(18)16-10-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2,(H,16,18)
InChIKeySPAPTZRYDSAIFN-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-benzyl-4-methylpiperidine-1-carboxamide
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3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
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benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
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N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111440705
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
N-benzyl-3-(4-benzylpiperidin-1-yl)azetidine-1-carboxamide
CID 23139846
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
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N-benzylazonane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide (CID 107654576) is 3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide is NCCC1CCN(C(=O)NCc2ccccc2)C1.
What is the InChIKey of 3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide?
The InChIKey is SPAPTZRYDSAIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-8-6-13-7-9-17(11-13)14(18)16-10-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2,(H,16,18).
What are the key properties of 3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide?
3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-benzylpyrrolidine-1-carboxamide is sourced from PubChem (CID 107654576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).