5-[1-(4-methylphenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C16H24N2 — CID 66211953

IUPAC5-[1-(4-methylphenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC(c1ccc(C)cc1)N1CC2CNCC2C1
InChIInChI=1S/C16H24N2/c1-3-16(13-6-4-12(2)5-7-13)18-10-14-8-17-9-15(14)11-18/h4-7,14-17H,3,8-11H2,1-2H3
InChIKeyLEUPHPKUPJEVPG-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.60
Rot. Bonds3

About 5-[1-(4-methylphenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-[1-(4-methylphenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66211953) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 5-[1-(4-methylphenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[1-(4-methylphenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66211953
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name5-[1-(4-methylphenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC(c1ccc(C)cc1)N1CC2CNCC2C1
InChIInChI=1S/C16H24N2/c1-3-16(13-6-4-12(2)5-7-13)18-10-14-8-17-9-15(14)11-18/h4-7,14-17H,3,8-11H2,1-2H3
InChIKeyLEUPHPKUPJEVPG-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[1-(4-methylphenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

(3aR,6aS)-5-[1-(4-fluorophenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042211
(3aR,6aS)-5-[1-(4-chlorophenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042222
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
2-[1-[1-(4-methylphenyl)propyl]azetidin-3-yl]acetic acid
CID 65069237
(3aR,6aS)-5-[1-(4-iodophenyl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114083159
4-ethyl-5-[1-(4-fluorophenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208105
1-[1-(4-methylphenyl)propyl]piperidin-3-amine
CID 61297923
1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine
CID 55216289
(3aS)-5-(4-methylphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 175383255
[4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine
CID 114960002
N-methyl-1-[1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine
CID 61205988
1-[4-[1-(4-methylphenyl)propyl]morpholin-2-yl]ethanamine
CID 115314999

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methylphenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[1-(4-methylphenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66211953) is 5-[1-(4-methylphenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[1-(4-methylphenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[1-(4-methylphenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC(c1ccc(C)cc1)N1CC2CNCC2C1.
What is the InChIKey of 5-[1-(4-methylphenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is LEUPHPKUPJEVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-16(13-6-4-12(2)5-7-13)18-10-14-8-17-9-15(14)11-18/h4-7,14-17H,3,8-11H2,1-2H3.
What are the key properties of 5-[1-(4-methylphenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-[1-(4-methylphenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 244.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methylphenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66211953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).