ethane;4-methyl-6,7-dihydroisoquinoline

C14H23N — CID 143716079

IUPACethane;4-methyl-6,7-dihydroisoquinoline
SMILESCC.CC.Cc1cncc2c1=CCCC=2
InChIInChI=1S/C10H11N.2C2H6/c1-8-6-11-7-9-4-2-3-5-10(8)9;2*1-2/h4-7H,2-3H2,1H3;2*1-2H3
InChIKeyAGDUQEKENHCCDS-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.80
Rot. Bonds

About ethane;4-methyl-6,7-dihydroisoquinoline

ethane;4-methyl-6,7-dihydroisoquinoline (PubChem CID 143716079) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;4-methyl-6,7-dihydroisoquinoline.

Molecular Properties

Compound Nameethane;4-methyl-6,7-dihydroisoquinoline
PubChem CID143716079
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Nameethane;4-methyl-6,7-dihydroisoquinoline
SMILESCC.CC.Cc1cncc2c1=CCCC=2
InChIInChI=1S/C10H11N.2C2H6/c1-8-6-11-7-9-4-2-3-5-10(8)9;2*1-2/h4-7H,2-3H2,1H3;2*1-2H3
InChIKeyAGDUQEKENHCCDS-UHFFFAOYSA-N
XLogP2.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-6,7-dihydroisoquinoline?
The IUPAC name of ethane;4-methyl-6,7-dihydroisoquinoline (CID 143716079) is ethane;4-methyl-6,7-dihydroisoquinoline.
What is the SMILES notation for ethane;4-methyl-6,7-dihydroisoquinoline?
The canonical SMILES for ethane;4-methyl-6,7-dihydroisoquinoline is CC.CC.Cc1cncc2c1=CCCC=2.
What is the InChIKey of ethane;4-methyl-6,7-dihydroisoquinoline?
The InChIKey is AGDUQEKENHCCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.2C2H6/c1-8-6-11-7-9-4-2-3-5-10(8)9;2*1-2/h4-7H,2-3H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methyl-6,7-dihydroisoquinoline?
ethane;4-methyl-6,7-dihydroisoquinoline has a molecular weight of 205.34 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-6,7-dihydroisoquinoline is sourced from PubChem (CID 143716079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).