2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone

C17H27N3O — CID 28577546

IUPAC2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CCCNCC(=O)N1CCCC1)Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-19(15-16-8-3-2-4-9-16)11-7-10-18-14-17(21)20-12-5-6-13-20/h2-4,8-9,18H,5-7,10-15H2,1H3
InChIKeyHRSZCARWNCBWBO-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.72
Rot. Bonds8

About 2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone

2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 28577546) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone
PubChem CID28577546
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CCCNCC(=O)N1CCCC1)Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-19(15-16-8-3-2-4-9-16)11-7-10-18-14-17(21)20-12-5-6-13-20/h2-4,8-9,18H,5-7,10-15H2,1H3
InChIKeyHRSZCARWNCBWBO-UHFFFAOYSA-N
XLogP1.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone
CID 60672286
2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone
CID 114333519
2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide
CID 28577544
2-[3-[benzyl(methyl)amino]propylamino]-N-cyclopropylacetamide
CID 28577554
1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119878618
N'-benzyl-N-(cyclobutylmethyl)-N'-methylpropane-1,3-diamine
CID 65459626
tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate
CID 60680973
2-[3-[benzyl(methyl)amino]propylamino]-N'-hydroxyethanimidamide
CID 77025961
N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
CID 62654308
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
N'-[3-[benzyl(methyl)amino]propyl]-N-ethylpyrrolidine-1-carboximidamide
CID 110956566

Frequently Asked Questions

What is the IUPAC name of 2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone (CID 28577546) is 2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone is CN(CCCNCC(=O)N1CCCC1)Cc1ccccc1.
What is the InChIKey of 2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is HRSZCARWNCBWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19(15-16-8-3-2-4-9-16)11-7-10-18-14-17(21)20-12-5-6-13-20/h2-4,8-9,18H,5-7,10-15H2,1H3.
What are the key properties of 2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone?
2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 289.42 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[benzyl(methyl)amino]propylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 28577546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).