1,6-dimethyl-6,7-dihydroisoquinoline;ethane

C13H19N — CID 91070680

IUPAC1,6-dimethyl-6,7-dihydroisoquinoline;ethane
SMILESCC.Cc1nccc2c1=CCC(C)C=2
InChIInChI=1S/C11H13N.C2H6/c1-8-3-4-11-9(2)12-6-5-10(11)7-8;1-2/h4-8H,3H2,1-2H3;1-2H3
InChIKeyHIBSWDSMVRPEKT-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.02
Rot. Bonds

About 1,6-dimethyl-6,7-dihydroisoquinoline;ethane

1,6-dimethyl-6,7-dihydroisoquinoline;ethane (PubChem CID 91070680) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1,6-dimethyl-6,7-dihydroisoquinoline;ethane.

Molecular Properties

Compound Name1,6-dimethyl-6,7-dihydroisoquinoline;ethane
PubChem CID91070680
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1,6-dimethyl-6,7-dihydroisoquinoline;ethane
SMILESCC.Cc1nccc2c1=CCC(C)C=2
InChIInChI=1S/C11H13N.C2H6/c1-8-3-4-11-9(2)12-6-5-10(11)7-8;1-2/h4-8H,3H2,1-2H3;1-2H3
InChIKeyHIBSWDSMVRPEKT-UHFFFAOYSA-N
XLogP2.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-Dihydroquinoline
CID 129722681
3-Fluoro-5-propan-2-yl-2,3-dihydroquinoline
CID 163719688
N-[(1Z,4E)-4-[4-(2,2-difluoroethyl)cyclohexa-1,5-dien-1-yl]hexa-1,4-dienyl]-3-methylbut-3-en-2-imine
CID 169622900
2,5-di(propan-2-yl)-3H-azepine
CID 10241356
2-Ethyl-3h-pyrrolo[2,3-h]-quinoline
CID 129782376
4h-Indenopyridine
CID 129788783
6-Ethyl-2-(1-fluoroethyl)-6,7-dihydroquinoline
CID 143910995
(Z)-N-ethenyl-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethylhept-3-en-2-imine
CID 144383744
(Z)-N-[(E)-but-1-enyl]-3-[(E)-1-fluoroprop-1-enyl]-4-methylhept-3-en-2-imine
CID 145143636
7-methyl-7H-indole
CID 20381758
2,3,4-Trimethyl-2,3-dihydroquinoline
CID 20469210
1H-naphtho[1,2-f]indole
CID 21888127

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-6,7-dihydroisoquinoline;ethane?
The IUPAC name of 1,6-dimethyl-6,7-dihydroisoquinoline;ethane (CID 91070680) is 1,6-dimethyl-6,7-dihydroisoquinoline;ethane.
What is the SMILES notation for 1,6-dimethyl-6,7-dihydroisoquinoline;ethane?
The canonical SMILES for 1,6-dimethyl-6,7-dihydroisoquinoline;ethane is CC.Cc1nccc2c1=CCC(C)C=2.
What is the InChIKey of 1,6-dimethyl-6,7-dihydroisoquinoline;ethane?
The InChIKey is HIBSWDSMVRPEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C2H6/c1-8-3-4-11-9(2)12-6-5-10(11)7-8;1-2/h4-8H,3H2,1-2H3;1-2H3.
What are the key properties of 1,6-dimethyl-6,7-dihydroisoquinoline;ethane?
1,6-dimethyl-6,7-dihydroisoquinoline;ethane has a molecular weight of 189.30 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-6,7-dihydroisoquinoline;ethane is sourced from PubChem (CID 91070680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).