2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline

C14H21N — CID 22980472

IUPAC2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1c(C)c(C)c2c(c1C)CCN(C)C2
InChIInChI=1S/C14H21N/c1-9-10(2)12(4)14-8-15(5)7-6-13(14)11(9)3/h6-8H2,1-5H3
InChIKeyOJOZUEIYRMFAJC-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.91
Rot. Bonds

About 2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline

2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 22980472) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline
PubChem CID22980472
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1c(C)c(C)c2c(c1C)CCN(C)C2
InChIInChI=1S/C14H21N/c1-9-10(2)12(4)14-8-15(5)7-6-13(14)11(9)3/h6-8H2,1-5H3
InChIKeyOJOZUEIYRMFAJC-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 91352697
3-methyl-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline-5,6-diol
CID 3044687
7-chloro-2,8-dimethyl-3,4-dihydro-1H-isoquinoline
CID 84666615
2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 82192182
2-methanidyl-5,6,7,8-tetramethyl-3,4-dihydro-1H-isoquinoline;1,2,3,4,5-pentamethylbenzene-6-ide;vanadium(2+)
CID 22980471
2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 88883283
2,8-dimethyl-3,4-dihydro-1H-isoquinoline-7-carbonitrile
CID 82405719
7-hydroxy-2,3,4,5-tetramethyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 22947680
1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 23323988
3,6-dimethyl-7,8-dihydro-5H-pyrido[3,4-e][1,3]oxazine-2,4-dione
CID 67557020
ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline
CID 171517410
1,4-dimethyl-5-prop-1-en-2-yl-3,6-dihydro-2H-pyridine
CID 143324265

Frequently Asked Questions

What is the IUPAC name of 2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline (CID 22980472) is 2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline is Cc1c(C)c(C)c2c(c1C)CCN(C)C2.
What is the InChIKey of 2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is OJOZUEIYRMFAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-9-10(2)12(4)14-8-15(5)7-6-13(14)11(9)3/h6-8H2,1-5H3.
What are the key properties of 2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline?
2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 203.33 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 22980472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).