8-cyclohexyl-4-methyl-5,6-dihydrobenzo[h]isoquinoline

C20H23N — CID 156510614

IUPAC8-cyclohexyl-4-methyl-5,6-dihydrobenzo[h]isoquinoline
SMILESCc1cncc2c1CCc1cc(C3CCCCC3)ccc1-2
InChIInChI=1S/C20H23N/c1-14-12-21-13-20-18(14)9-8-17-11-16(7-10-19(17)20)15-5-3-2-4-6-15/h7,10-13,15H,2-6,8-9H2,1H3
InChIKeyUNPXUMKPNVGQIB-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.20
Rot. Bonds1

About 8-cyclohexyl-4-methyl-5,6-dihydrobenzo[h]isoquinoline

8-cyclohexyl-4-methyl-5,6-dihydrobenzo[h]isoquinoline (PubChem CID 156510614) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 8-cyclohexyl-4-methyl-5,6-dihydrobenzo[h]isoquinoline.

Molecular Properties

Compound Name8-cyclohexyl-4-methyl-5,6-dihydrobenzo[h]isoquinoline
PubChem CID156510614
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name8-cyclohexyl-4-methyl-5,6-dihydrobenzo[h]isoquinoline
SMILESCc1cncc2c1CCc1cc(C3CCCCC3)ccc1-2
InChIInChI=1S/C20H23N/c1-14-12-21-13-20-18(14)9-8-17-11-16(7-10-19(17)20)15-5-3-2-4-6-15/h7,10-13,15H,2-6,8-9H2,1H3
InChIKeyUNPXUMKPNVGQIB-UHFFFAOYSA-N
XLogP5.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-4-methyl-5,6-dihydrobenzo[h]isoquinoline?
The IUPAC name of 8-cyclohexyl-4-methyl-5,6-dihydrobenzo[h]isoquinoline (CID 156510614) is 8-cyclohexyl-4-methyl-5,6-dihydrobenzo[h]isoquinoline.
What is the SMILES notation for 8-cyclohexyl-4-methyl-5,6-dihydrobenzo[h]isoquinoline?
The canonical SMILES for 8-cyclohexyl-4-methyl-5,6-dihydrobenzo[h]isoquinoline is Cc1cncc2c1CCc1cc(C3CCCCC3)ccc1-2.
What is the InChIKey of 8-cyclohexyl-4-methyl-5,6-dihydrobenzo[h]isoquinoline?
The InChIKey is UNPXUMKPNVGQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-14-12-21-13-20-18(14)9-8-17-11-16(7-10-19(17)20)15-5-3-2-4-6-15/h7,10-13,15H,2-6,8-9H2,1H3.
What are the key properties of 8-cyclohexyl-4-methyl-5,6-dihydrobenzo[h]isoquinoline?
8-cyclohexyl-4-methyl-5,6-dihydrobenzo[h]isoquinoline has a molecular weight of 277.41 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-4-methyl-5,6-dihydrobenzo[h]isoquinoline is sourced from PubChem (CID 156510614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).