2,7-di(propan-2-yl)-1,5,6,8-tetrahydropyrrolo[3,2-g]isoquinoline

C17H24N2 — CID 70800033

IUPAC2,7-di(propan-2-yl)-1,5,6,8-tetrahydropyrrolo[3,2-g]isoquinoline
SMILESCC(C)c1cc2cc3c(cc2[nH]1)CN(C(C)C)CC3
InChIInChI=1S/C17H24N2/c1-11(2)16-8-14-7-13-5-6-19(12(3)4)10-15(13)9-17(14)18-16/h7-9,11-12,18H,5-6,10H2,1-4H3
InChIKeyXXNGIHWFSOOJFB-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.06
Rot. Bonds2

About 2,7-di(propan-2-yl)-1,5,6,8-tetrahydropyrrolo[3,2-g]isoquinoline

2,7-di(propan-2-yl)-1,5,6,8-tetrahydropyrrolo[3,2-g]isoquinoline (PubChem CID 70800033) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-1,5,6,8-tetrahydropyrrolo[3,2-g]isoquinoline.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-1,5,6,8-tetrahydropyrrolo[3,2-g]isoquinoline
PubChem CID70800033
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2,7-di(propan-2-yl)-1,5,6,8-tetrahydropyrrolo[3,2-g]isoquinoline
SMILESCC(C)c1cc2cc3c(cc2[nH]1)CN(C(C)C)CC3
InChIInChI=1S/C17H24N2/c1-11(2)16-8-14-7-13-5-6-19(12(3)4)10-15(13)9-17(14)18-16/h7-9,11-12,18H,5-6,10H2,1-4H3
InChIKeyXXNGIHWFSOOJFB-UHFFFAOYSA-N
XLogP4.06
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-1,5,6,8-tetrahydropyrrolo[3,2-g]isoquinoline?
The IUPAC name of 2,7-di(propan-2-yl)-1,5,6,8-tetrahydropyrrolo[3,2-g]isoquinoline (CID 70800033) is 2,7-di(propan-2-yl)-1,5,6,8-tetrahydropyrrolo[3,2-g]isoquinoline.
What is the SMILES notation for 2,7-di(propan-2-yl)-1,5,6,8-tetrahydropyrrolo[3,2-g]isoquinoline?
The canonical SMILES for 2,7-di(propan-2-yl)-1,5,6,8-tetrahydropyrrolo[3,2-g]isoquinoline is CC(C)c1cc2cc3c(cc2[nH]1)CN(C(C)C)CC3.
What is the InChIKey of 2,7-di(propan-2-yl)-1,5,6,8-tetrahydropyrrolo[3,2-g]isoquinoline?
The InChIKey is XXNGIHWFSOOJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-11(2)16-8-14-7-13-5-6-19(12(3)4)10-15(13)9-17(14)18-16/h7-9,11-12,18H,5-6,10H2,1-4H3.
What are the key properties of 2,7-di(propan-2-yl)-1,5,6,8-tetrahydropyrrolo[3,2-g]isoquinoline?
2,7-di(propan-2-yl)-1,5,6,8-tetrahydropyrrolo[3,2-g]isoquinoline has a molecular weight of 256.39 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-1,5,6,8-tetrahydropyrrolo[3,2-g]isoquinoline is sourced from PubChem (CID 70800033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).