1,1-dimethyl-2,6-di(propan-2-yl)-3,4-dihydroisoquinoline

C17H27N — CID 155709769

IUPAC1,1-dimethyl-2,6-di(propan-2-yl)-3,4-dihydroisoquinoline
SMILESCC(C)c1ccc2c(c1)CCN(C(C)C)C2(C)C
InChIInChI=1S/C17H27N/c1-12(2)14-7-8-16-15(11-14)9-10-18(13(3)4)17(16,5)6/h7-8,11-13H,9-10H2,1-6H3
InChIKeyPCBUVVDZKRRZPB-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.31
Rot. Bonds2

About 1,1-dimethyl-2,6-di(propan-2-yl)-3,4-dihydroisoquinoline

1,1-dimethyl-2,6-di(propan-2-yl)-3,4-dihydroisoquinoline (PubChem CID 155709769) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1,1-dimethyl-2,6-di(propan-2-yl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1,1-dimethyl-2,6-di(propan-2-yl)-3,4-dihydroisoquinoline
PubChem CID155709769
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1,1-dimethyl-2,6-di(propan-2-yl)-3,4-dihydroisoquinoline
SMILESCC(C)c1ccc2c(c1)CCN(C(C)C)C2(C)C
InChIInChI=1S/C17H27N/c1-12(2)14-7-8-16-15(11-14)9-10-18(13(3)4)17(16,5)6/h7-8,11-13H,9-10H2,1-6H3
InChIKeyPCBUVVDZKRRZPB-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2,6-di(propan-2-yl)-3,4-dihydroisoquinoline?
The IUPAC name of 1,1-dimethyl-2,6-di(propan-2-yl)-3,4-dihydroisoquinoline (CID 155709769) is 1,1-dimethyl-2,6-di(propan-2-yl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 1,1-dimethyl-2,6-di(propan-2-yl)-3,4-dihydroisoquinoline?
The canonical SMILES for 1,1-dimethyl-2,6-di(propan-2-yl)-3,4-dihydroisoquinoline is CC(C)c1ccc2c(c1)CCN(C(C)C)C2(C)C.
What is the InChIKey of 1,1-dimethyl-2,6-di(propan-2-yl)-3,4-dihydroisoquinoline?
The InChIKey is PCBUVVDZKRRZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)14-7-8-16-15(11-14)9-10-18(13(3)4)17(16,5)6/h7-8,11-13H,9-10H2,1-6H3.
What are the key properties of 1,1-dimethyl-2,6-di(propan-2-yl)-3,4-dihydroisoquinoline?
1,1-dimethyl-2,6-di(propan-2-yl)-3,4-dihydroisoquinoline has a molecular weight of 245.41 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2,6-di(propan-2-yl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 155709769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).