4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C18H26N2 — CID 66244157

IUPAC4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1C1CCCc2ccccc21
InChIInChI=1S/C18H26N2/c1-18(2)16-11-19-10-14(16)12-20(18)17-9-5-7-13-6-3-4-8-15(13)17/h3-4,6,8,14,16-17,19H,5,7,9-12H2,1-2H3
InChIKeyUAKVKBCJLGXGEE-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.99
Rot. Bonds1

About 4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66244157) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66244157
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1C1CCCc2ccccc21
InChIInChI=1S/C18H26N2/c1-18(2)16-11-19-10-14(16)12-20(18)17-9-5-7-13-6-3-4-8-15(13)17/h3-4,6,8,14,16-17,19H,5,7,9-12H2,1-2H3
InChIKeyUAKVKBCJLGXGEE-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66244157) is 4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC1(C)C2CNCC2CN1C1CCCc2ccccc21.
What is the InChIKey of 4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is UAKVKBCJLGXGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-18(2)16-11-19-10-14(16)12-20(18)17-9-5-7-13-6-3-4-8-15(13)17/h3-4,6,8,14,16-17,19H,5,7,9-12H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 270.42 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66244157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).