1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline

C25H27N — CID 140693449

IUPAC1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline
SMILESCC(C)c1ccc2c(-c3ccc4c(c3)C3CC(C4)C3(C)C)nccc2c1
InChIInChI=1S/C25H27N/c1-15(2)16-7-8-21-18(11-16)9-10-26-24(21)19-6-5-17-12-20-14-23(22(17)13-19)25(20,3)4/h5-11,13,15,20,23H,12,14H2,1-4H3
InChIKeyQJLIQCPKIJBOFV-UHFFFAOYSA-N
MW341.50 g/mol
LogP6.71
Rot. Bonds2

About 1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline

1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline (PubChem CID 140693449) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline.

Molecular Properties

Compound Name1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline
PubChem CID140693449
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline
SMILESCC(C)c1ccc2c(-c3ccc4c(c3)C3CC(C4)C3(C)C)nccc2c1
InChIInChI=1S/C25H27N/c1-15(2)16-7-8-21-18(11-16)9-10-26-24(21)19-6-5-17-12-20-14-23(22(17)13-19)25(20,3)4/h5-11,13,15,20,23H,12,14H2,1-4H3
InChIKeyQJLIQCPKIJBOFV-UHFFFAOYSA-N
XLogP6.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline with MolForge

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Related Compounds

6-propan-2-yl-1-(3-propan-2-ylphenyl)isoquinoline
CID 149405285
1-(9,9-dimethylfluoren-2-yl)-6-propan-2-ylisoquinoline
CID 121282910
1-(3,5-dimethylphenyl)-6-(1,1,1-trideuteriopropan-2-yl)isoquinoline
CID 158566063
5-propan-2-yl-8-(6-propan-2-ylisoquinolin-1-yl)phenanthridin-5-ium
CID 167320648
6-propan-2-yl-1-(4-propan-2-ylphenanthren-2-yl)isoquinoline
CID 170661018
6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinoline
CID 130343559
6-propan-2-yl-1-(3-thiapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2(6),4,7,9,11,13,15,17,19,21-undecaen-4-yl)isoquinoline
CID 168811469
1-(2-methyl-5-propan-2-yl-1-benzofuran-7-yl)-6-propan-2-ylisoquinoline
CID 167259543
6-butan-2-yl-1-(3-phenylphenyl)isoquinoline
CID 153437056
10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 162787690
6-cyclopentyl-1-[4-(4,4-dimethylcyclohexyl)naphthalen-2-yl]isoquinoline
CID 156621924
1-[3-[7-(3-isoquinolin-1-ylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline
CID 58881218

Frequently Asked Questions

What is the IUPAC name of 1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline?
The IUPAC name of 1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline (CID 140693449) is 1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline.
What is the SMILES notation for 1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline?
The canonical SMILES for 1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline is CC(C)c1ccc2c(-c3ccc4c(c3)C3CC(C4)C3(C)C)nccc2c1.
What is the InChIKey of 1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline?
The InChIKey is QJLIQCPKIJBOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N/c1-15(2)16-7-8-21-18(11-16)9-10-26-24(21)19-6-5-17-12-20-14-23(22(17)13-19)25(20,3)4/h5-11,13,15,20,23H,12,14H2,1-4H3.
What are the key properties of 1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline?
1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline has a molecular weight of 341.50 g/mol, XLogP of 6.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10,10-dimethyl-4-tricyclo[7.1.1.02,7]undeca-2(7),3,5-trienyl)-6-propan-2-ylisoquinoline is sourced from PubChem (CID 140693449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).