6-(1,8a-dihydronaphthalen-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine

C17H21N — CID 159351272

IUPAC6-(1,8a-dihydronaphthalen-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine
SMILESCC1(C)CCCN=C1C1=CC=C2C=CC=CC2C1
InChIInChI=1S/C17H21N/c1-17(2)10-5-11-18-16(17)15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,14H,5,10-12H2,1-2H3
InChIKeyZVUNRZRXGSQSST-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.25
Rot. Bonds1

About 6-(1,8a-dihydronaphthalen-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine

6-(1,8a-dihydronaphthalen-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine (PubChem CID 159351272) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 6-(1,8a-dihydronaphthalen-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name6-(1,8a-dihydronaphthalen-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine
PubChem CID159351272
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name6-(1,8a-dihydronaphthalen-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine
SMILESCC1(C)CCCN=C1C1=CC=C2C=CC=CC2C1
InChIInChI=1S/C17H21N/c1-17(2)10-5-11-18-16(17)15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,14H,5,10-12H2,1-2H3
InChIKeyZVUNRZRXGSQSST-UHFFFAOYSA-N
XLogP4.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-But-2-enyl-6-fluoro-8,8,10,10-tetramethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),5,9(17),12,14-hexaene
CID 166881024
3-Ethyl-6-fluoro-2,4,5,8,8,10,10-heptamethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,6,9(17),12,14-hexaene
CID 166881050
3-But-2-enyl-6-fluoro-8,8,10,10-tetramethyl-15-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,9(16),11,13-hexaene
CID 166881052
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CID 167118987
(3aR,9aS,9bS)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 134983011
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CID 135050320
(12cR,12dR)-12c,12d-dimethyl-11,12-dihydropyreno[5,4-c]pyridine
CID 139244149
(12cR,12dR)-12c,12d-dimethyl-2,7,11,12-tetrahydropyreno[5,4-c]pyridine
CID 139244160
7-Fluoro-10-(3-fluorohex-4-en-3-yl)-5,6,6-trimethyl-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline
CID 142512915
7-Fluoro-5,6,6-trimethyl-10-(3-methylhept-4-en-3-yl)-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline
CID 145082629
7-Fluoro-5,6,6-trimethyl-10-(3-methylhex-4-en-3-yl)-4-propan-2-ylidene-9,10-dihydrobenzo[h]quinoline
CID 156646889
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Frequently Asked Questions

What is the IUPAC name of 6-(1,8a-dihydronaphthalen-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 6-(1,8a-dihydronaphthalen-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine (CID 159351272) is 6-(1,8a-dihydronaphthalen-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 6-(1,8a-dihydronaphthalen-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 6-(1,8a-dihydronaphthalen-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine is CC1(C)CCCN=C1C1=CC=C2C=CC=CC2C1.
What is the InChIKey of 6-(1,8a-dihydronaphthalen-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine?
The InChIKey is ZVUNRZRXGSQSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-17(2)10-5-11-18-16(17)15-9-8-13-6-3-4-7-14(13)12-15/h3-4,6-9,14H,5,10-12H2,1-2H3.
What are the key properties of 6-(1,8a-dihydronaphthalen-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine?
6-(1,8a-dihydronaphthalen-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine has a molecular weight of 239.36 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,8a-dihydronaphthalen-2-yl)-5,5-dimethyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 159351272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).