1-cycloundecylisoquinoline

C20H27N — CID 137392148

IUPAC1-cycloundecylisoquinoline
SMILESc1ccc2c(C3CCCCCCCCCC3)nccc2c1
InChIInChI=1S/C20H27N/c1-2-4-6-8-13-18(12-7-5-3-1)20-19-14-10-9-11-17(19)15-16-21-20/h9-11,14-16,18H,1-8,12-13H2
InChIKeySJQSZHCMCGPZLO-UHFFFAOYSA-N
MW281.44 g/mol
LogP6.23
Rot. Bonds1

About 1-cycloundecylisoquinoline

1-cycloundecylisoquinoline (PubChem CID 137392148) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-cycloundecylisoquinoline.

Molecular Properties

Compound Name1-cycloundecylisoquinoline
PubChem CID137392148
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-cycloundecylisoquinoline
SMILESc1ccc2c(C3CCCCCCCCCC3)nccc2c1
InChIInChI=1S/C20H27N/c1-2-4-6-8-13-18(12-7-5-3-1)20-19-14-10-9-11-17(19)15-16-21-20/h9-11,14-16,18H,1-8,12-13H2
InChIKeySJQSZHCMCGPZLO-UHFFFAOYSA-N
XLogP6.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-isoquinolin-1-ylcyclohexan-1-ol
CID 116995245
1-piperidin-3-ylisoquinoline
CID 84782419
1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride
CID 173450913
1-(thietan-2-yl)isoquinoline
CID 143276682
6-bromo-1-cyclohexylisoquinoline
CID 156598771
2-(1-cyclohexylisoquinolin-5-yl)acetic acid
CID 12832775
1-(2-methylidenecyclohexyl)isoquinoline
CID 90912749
1-(azetidin-2-yl)isoquinoline
CID 55293778
1-cyclohexyl-6,7-dimethoxyisoquinoline
CID 70208603
1-cyclohexyl-4-methylisoquinoline
CID 72544132
1-(4-cyclohexylbutyl)isoquinoline
CID 162400552
2-(1-cyclohexylisoquinolin-5-yl)propanoic acid
CID 20533890

Frequently Asked Questions

What is the IUPAC name of 1-cycloundecylisoquinoline?
The IUPAC name of 1-cycloundecylisoquinoline (CID 137392148) is 1-cycloundecylisoquinoline.
What is the SMILES notation for 1-cycloundecylisoquinoline?
The canonical SMILES for 1-cycloundecylisoquinoline is c1ccc2c(C3CCCCCCCCCC3)nccc2c1.
What is the InChIKey of 1-cycloundecylisoquinoline?
The InChIKey is SJQSZHCMCGPZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-2-4-6-8-13-18(12-7-5-3-1)20-19-14-10-9-11-17(19)15-16-21-20/h9-11,14-16,18H,1-8,12-13H2.
What are the key properties of 1-cycloundecylisoquinoline?
1-cycloundecylisoquinoline has a molecular weight of 281.44 g/mol, XLogP of 6.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloundecylisoquinoline is sourced from PubChem (CID 137392148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).