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

C15H21N — CID 118583792

IUPAC3,4-di(propan-2-yl)-1,2-dihydroisoquinoline
SMILESCC(C)C1=C(C(C)C)c2ccccc2CN1
InChIInChI=1S/C15H21N/c1-10(2)14-13-8-6-5-7-12(13)9-16-15(14)11(3)4/h5-8,10-11,16H,9H2,1-4H3
InChIKeyRQEBVIKQQUWQNX-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.81
Rot. Bonds2

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

3,4-di(propan-2-yl)-1,2-dihydroisoquinoline (PubChem CID 118583792) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1,2-dihydroisoquinoline.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1,2-dihydroisoquinoline
PubChem CID118583792
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3,4-di(propan-2-yl)-1,2-dihydroisoquinoline
SMILESCC(C)C1=C(C(C)C)c2ccccc2CN1
InChIInChI=1S/C15H21N/c1-10(2)14-13-8-6-5-7-12(13)9-16-15(14)11(3)4/h5-8,10-11,16H,9H2,1-4H3
InChIKeyRQEBVIKQQUWQNX-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-methylidene-1,2-dihydroisoindole
CID 178059907
3-propan-2-yl-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),7,9,11,15,17-heptaene
CID 167147282
2,3-dihydroisoindol-1-one;methane
CID 161271775
3,4-ditert-butyl-1,2-dihydroisoquinoline
CID 155403912
(11Z)-11-[amino(propan-2-yl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine
CID 167443973
bis(benzimidazol-2-one);2,3-dihydroisoindol-1-one
CID 158725420
(11Z)-5,11,12-tri(propan-2-yl)-6H-benzo[c][1]benzazocine
CID 168786359
2,3-dihydroisoindol-1-one;isoindole-1,3-dione
CID 68591479
4-(dimethylaminomethylidene)-1,2-dihydroisoquinolin-3-one
CID 68694593
4,11-dimethyl-14-azatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8(13),9,11,16,18-nonaene
CID 176729886
2,3-dihydro-1H-isoquinolin-4-one
CID 23008851
1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 58860770

Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1,2-dihydroisoquinoline?
The IUPAC name of 3,4-di(propan-2-yl)-1,2-dihydroisoquinoline (CID 118583792) is 3,4-di(propan-2-yl)-1,2-dihydroisoquinoline.
What is the SMILES notation for 3,4-di(propan-2-yl)-1,2-dihydroisoquinoline?
The canonical SMILES for 3,4-di(propan-2-yl)-1,2-dihydroisoquinoline is CC(C)C1=C(C(C)C)c2ccccc2CN1.
What is the InChIKey of 3,4-di(propan-2-yl)-1,2-dihydroisoquinoline?
The InChIKey is RQEBVIKQQUWQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-10(2)14-13-8-6-5-7-12(13)9-16-15(14)11(3)4/h5-8,10-11,16H,9H2,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-1,2-dihydroisoquinoline?
3,4-di(propan-2-yl)-1,2-dihydroisoquinoline has a molecular weight of 215.34 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-1,2-dihydroisoquinoline is sourced from PubChem (CID 118583792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).