ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline

C26H40N2 — CID 171517410

IUPACethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline
SMILESCC.Cc1cc(C)c2c(c1)CCN(C)C2.Cc1cc(C)c2c(c1)CN(C)CC2
InChIInChI=1S/2C12H17N.C2H6/c1-9-6-10(2)12-4-5-13(3)8-11(12)7-9;1-9-6-10(2)12-8-13(3)5-4-11(12)7-9;1-2/h2*6-7H,4-5,8H2,1-3H3;1-2H3
InChIKeyGBQARLSJQJGIBN-UHFFFAOYSA-N
MW380.62 g/mol
LogP5.61
Rot. Bonds

About ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline

ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 171517410) has the molecular formula C26H40N2 and a molecular weight of 380.62 g/mol. Its IUPAC name is ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Nameethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline
PubChem CID171517410
Molecular FormulaC26H40N2
Molecular Weight380.62 g/mol
Exact Mass380.32
IUPAC Nameethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline
SMILESCC.Cc1cc(C)c2c(c1)CCN(C)C2.Cc1cc(C)c2c(c1)CN(C)CC2
InChIInChI=1S/2C12H17N.C2H6/c1-9-6-10(2)12-4-5-13(3)8-11(12)7-9;1-9-6-10(2)12-8-13(3)5-4-11(12)7-9;1-2/h2*6-7H,4-5,8H2,1-3H3;1-2H3
InChIKeyGBQARLSJQJGIBN-UHFFFAOYSA-N
XLogP5.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline
CID 170085418
2-[2-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)ethyl]-4,4,7-trimethyl-1,3-dihydroisoquinoline
CID 146572573
6,8-dimethyl-2-[(2R,3S)-2-methyloxolan-3-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 99830889
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
3,7-dimethyl-6,8-dihydro-5H-1,7-naphthyridine
CID 59437026
2,6-dimethyl-3,4-dihydro-1H-2,7-naphthyridine;ethane
CID 145006597
(2S)-2-[(6,8-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-N,N-dimethylpropanamide
CID 99840563
2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline
CID 22980472
7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 18687351
benzene;buta-1,3-diene;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;prop-1-ene
CID 155698278
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 84703157

Frequently Asked Questions

What is the IUPAC name of ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline (CID 171517410) is ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline is CC.Cc1cc(C)c2c(c1)CCN(C)C2.Cc1cc(C)c2c(c1)CN(C)CC2.
What is the InChIKey of ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is GBQARLSJQJGIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17N.C2H6/c1-9-6-10(2)12-4-5-13(3)8-11(12)7-9;1-9-6-10(2)12-8-13(3)5-4-11(12)7-9;1-2/h2*6-7H,4-5,8H2,1-3H3;1-2H3.
What are the key properties of ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline?
ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 380.62 g/mol, XLogP of 5.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,5,7-trimethyl-3,4-dihydro-1H-isoquinoline;2,6,8-trimethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 171517410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).