2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole

C16H24N2 — CID 106976381

IUPAC2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole
SMILESCCCC1(CN2Cc3ccccc3C2)CCCN1
InChIInChI=1S/C16H24N2/c1-2-8-16(9-5-10-17-16)13-18-11-14-6-3-4-7-15(14)12-18/h3-4,6-7,17H,2,5,8-13H2,1H3
InChIKeyAKFYGDORPNKLLI-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.92
Rot. Bonds4

About 2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole

2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole (PubChem CID 106976381) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole
PubChem CID106976381
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole
SMILESCCCC1(CN2Cc3ccccc3C2)CCCN1
InChIInChI=1S/C16H24N2/c1-2-8-16(9-5-10-17-16)13-18-11-14-6-3-4-7-15(14)12-18/h3-4,6-7,17H,2,5,8-13H2,1H3
InChIKeyAKFYGDORPNKLLI-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Isoindoline
CID 422478
2-((4,5-dihydro-1H-imidazol-2-yl)methyl)-2,3-dihydro-1-methyl-1H-isoindole
CID 121850
1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478
Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amine
CID 44578367
2,3-dihydro-1H-isoindole hydrochloride
CID 12311031
2-(2-(Diethylamino)ethyl)-isoindoline
CID 52573
2-Phenyl-2-(pyrrolidin-1-yl)ethan-1-amine
CID 4992130
11-Azatricyclo(6.2.1.0,2,7)undeca-2,4,6-triene
CID 138430
(9R)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),10,12,14-tetraene
CID 15628834
Tocris-1133
CID 6604824
1,1,3,3-Tetramethylisoindoline
CID 641027
Pyrrolidine, 1-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-3-(methylamino)-
CID 3052641

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole?
The IUPAC name of 2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole (CID 106976381) is 2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole.
What is the SMILES notation for 2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole?
The canonical SMILES for 2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole is CCCC1(CN2Cc3ccccc3C2)CCCN1.
What is the InChIKey of 2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole?
The InChIKey is AKFYGDORPNKLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-8-16(9-5-10-17-16)13-18-11-14-6-3-4-7-15(14)12-18/h3-4,6-7,17H,2,5,8-13H2,1H3.
What are the key properties of 2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole?
2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole has a molecular weight of 244.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propylpyrrolidin-2-yl)methyl]-1,3-dihydroisoindole is sourced from PubChem (CID 106976381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).