5-methyl-1-[(4-propan-2-ylphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

C17H26N2 — CID 138459829

IUPAC5-methyl-1-[(4-propan-2-ylphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCC(C)c1ccc(CN2CCC3CN(C)CC32)cc1
InChIInChI=1S/C17H26N2/c1-13(2)15-6-4-14(5-7-15)10-19-9-8-16-11-18(3)12-17(16)19/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyHQVPLEOXXXYKFZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.95
Rot. Bonds3

About 5-methyl-1-[(4-propan-2-ylphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

5-methyl-1-[(4-propan-2-ylphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 138459829) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 5-methyl-1-[(4-propan-2-ylphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name5-methyl-1-[(4-propan-2-ylphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID138459829
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name5-methyl-1-[(4-propan-2-ylphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCC(C)c1ccc(CN2CCC3CN(C)CC32)cc1
InChIInChI=1S/C17H26N2/c1-13(2)15-6-4-14(5-7-15)10-19-9-8-16-11-18(3)12-17(16)19/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyHQVPLEOXXXYKFZ-UHFFFAOYSA-N
XLogP2.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-1-[(4-propan-2-ylphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole with MolForge

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Related Compounds

1-[(4-propan-2-ylphenyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 58659517
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CID 72898799
N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
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2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 55182780
4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 103898354
1-(cyclopropylmethyl)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole
CID 131208887
5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64860473
1-benzyl-2-(1-methylpyrrolidin-3-yl)piperidine-4-carbaldehyde
CID 54289810
1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672877
2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 58659507
2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 112747898
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581090

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(4-propan-2-ylphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 5-methyl-1-[(4-propan-2-ylphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 138459829) is 5-methyl-1-[(4-propan-2-ylphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 5-methyl-1-[(4-propan-2-ylphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 5-methyl-1-[(4-propan-2-ylphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is CC(C)c1ccc(CN2CCC3CN(C)CC32)cc1.
What is the InChIKey of 5-methyl-1-[(4-propan-2-ylphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is HQVPLEOXXXYKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(2)15-6-4-14(5-7-15)10-19-9-8-16-11-18(3)12-17(16)19/h4-7,13,16-17H,8-12H2,1-3H3.
What are the key properties of 5-methyl-1-[(4-propan-2-ylphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
5-methyl-1-[(4-propan-2-ylphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 258.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(4-propan-2-ylphenyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 138459829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).