N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine

C16H22N2 — CID 54276593

IUPACN-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine
SMILESCN(CC#CCN1CCCC1)Cc1ccccc1
InChIInChI=1S/C16H22N2/c1-17(15-16-9-3-2-4-10-16)11-5-6-12-18-13-7-8-14-18/h2-4,9-10H,7-8,11-15H2,1H3
InChIKeyRNVMERYBCZLQFW-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.22
Rot. Bonds4

About N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine

N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine (PubChem CID 54276593) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine
PubChem CID54276593
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine
SMILESCN(CC#CCN1CCCC1)Cc1ccccc1
InChIInChI=1S/C16H22N2/c1-17(15-16-9-3-2-4-10-16)11-5-6-12-18-13-7-8-14-18/h2-4,9-10H,7-8,11-15H2,1H3
InChIKeyRNVMERYBCZLQFW-UHFFFAOYSA-N
XLogP2.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide
CID 21390504
N-[4-[benzyl(methyl)amino]but-2-ynyl]-2-benzylsulfanylacetamide
CID 71792878
(1S)-N,N'-dibenzyl-1-cyclopropyl-N,N'-dimethylbut-2-yne-1,4-diamine
CID 155934628
(1S)-N,N'-dibenzyl-N,N'-dimethyl-1-phenylbut-2-yne-1,4-diamine
CID 155934629
4-[benzyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol;hydrochloride
CID 52997639
N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-methylbutanamide
CID 71792865
1-benzylpyrrolidine;propane
CID 143692089
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
(2S)-N-[4-[benzyl(methyl)amino]but-2-ynyl]-2-phenylbutanamide
CID 95985585
N-[4-[benzyl(methyl)amino]but-2-ynyl]-3-phenylprop-2-enamide
CID 71960612
N-[4-[benzyl(methyl)amino]but-2-ynyl]-4-chlorobenzamide
CID 71792872

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine?
The IUPAC name of N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine (CID 54276593) is N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine.
What is the SMILES notation for N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine?
The canonical SMILES for N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine is CN(CC#CCN1CCCC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine?
The InChIKey is RNVMERYBCZLQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-17(15-16-9-3-2-4-10-16)11-5-6-12-18-13-7-8-14-18/h2-4,9-10H,7-8,11-15H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine?
N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine has a molecular weight of 242.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-pyrrolidin-1-ylbut-2-yn-1-amine is sourced from PubChem (CID 54276593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).