4-methyl-5-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C18H26N2 — CID 115419466

IUPAC4-methyl-5-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1CCC(N2CC3CNCC3C2C)c2ccccc21
InChIInChI=1S/C18H26N2/c1-12-7-8-18(16-6-4-3-5-15(12)16)20-11-14-9-19-10-17(14)13(20)2/h3-6,12-14,17-19H,7-11H2,1-2H3
InChIKeyXAKKHRBLXQUVJG-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.16
Rot. Bonds1

About 4-methyl-5-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

4-methyl-5-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 115419466) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-methyl-5-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-methyl-5-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID115419466
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name4-methyl-5-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1CCC(N2CC3CNCC3C2C)c2ccccc21
InChIInChI=1S/C18H26N2/c1-12-7-8-18(16-6-4-3-5-15(12)16)20-11-14-9-19-10-17(14)13(20)2/h3-6,12-14,17-19H,7-11H2,1-2H3
InChIKeyXAKKHRBLXQUVJG-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

Tametraline
CID 163308
(1R)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
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(1S,4S)-N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104182
N,N-Dimethyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine--hydrogen chloride (1/1)
CID 40332
2-Methyl-1-phenyl-octahydropyrrolo[3,4-c]pyrrole
CID 54595550
Cambridge id 5455795
CID 2846351
1-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine
CID 40422692
(1RS,4RS)-N-Methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 10609935
5-Benzyl-1-(4-fluoro-2-methyl-phenyl)-octahydro-pyrrolo[3,4-c]pyrrole
CID 69737429
(3S,3aS,6aS)-5-[(4-fluorophenyl)methyl]-3-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 169123401
4-(1,3-Difluoronaphthalen-2-yl)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole
CID 175754439
5-(2,2-difluoroethyl)-3-(4-ethylphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 176842138

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-methyl-5-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 115419466) is 4-methyl-5-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-methyl-5-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-methyl-5-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1CCC(N2CC3CNCC3C2C)c2ccccc21.
What is the InChIKey of 4-methyl-5-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is XAKKHRBLXQUVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-12-7-8-18(16-6-4-3-5-15(12)16)20-11-14-9-19-10-17(14)13(20)2/h3-6,12-14,17-19H,7-11H2,1-2H3.
What are the key properties of 4-methyl-5-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-methyl-5-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 270.42 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 115419466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).