1-cyclohexyl-4-methylisoquinoline

C16H19N — CID 72544132

IUPAC1-cyclohexyl-4-methylisoquinoline
SMILESCc1cnc(C2CCCCC2)c2ccccc12
InChIInChI=1S/C16H19N/c1-12-11-17-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h5-6,9-11,13H,2-4,7-8H2,1H3
InChIKeyLDYRFYPMQPDTIK-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.59
Rot. Bonds1

About 1-cyclohexyl-4-methylisoquinoline

1-cyclohexyl-4-methylisoquinoline (PubChem CID 72544132) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-cyclohexyl-4-methylisoquinoline.

Molecular Properties

Compound Name1-cyclohexyl-4-methylisoquinoline
PubChem CID72544132
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name1-cyclohexyl-4-methylisoquinoline
SMILESCc1cnc(C2CCCCC2)c2ccccc12
InChIInChI=1S/C16H19N/c1-12-11-17-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h5-6,9-11,13H,2-4,7-8H2,1H3
InChIKeyLDYRFYPMQPDTIK-UHFFFAOYSA-N
XLogP4.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloundecylisoquinoline
CID 137392148
7,12-dicyclohexylbenzo[j]phenanthridine
CID 59183915
2-cyclododecyl-4-methylquinoline
CID 10566873
2-cyclohexyl-4-methylquinoline
CID 175925044
3-cyclohexyl-6-methyl-1H-pyrazin-2-one
CID 125457865
4-cyclopentyl-2H-phthalazin-1-one
CID 852172
1-(4-methylisoquinolin-1-yl)ethanamine
CID 82575727
1-cyclododecyl-3-methyl-2H-isoindole
CID 173177234
2-(1-cyclohexylisoquinolin-5-yl)acetic acid
CID 12832775
2-(1-cyclohexylisoquinolin-5-yl)propanoic acid
CID 20533890
6-cyclobutyl-2-methylphenanthridine
CID 132849259
5-cyclohexyl-1,3-dimethylnaphthalene
CID 153456368

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methylisoquinoline?
The IUPAC name of 1-cyclohexyl-4-methylisoquinoline (CID 72544132) is 1-cyclohexyl-4-methylisoquinoline.
What is the SMILES notation for 1-cyclohexyl-4-methylisoquinoline?
The canonical SMILES for 1-cyclohexyl-4-methylisoquinoline is Cc1cnc(C2CCCCC2)c2ccccc12.
What is the InChIKey of 1-cyclohexyl-4-methylisoquinoline?
The InChIKey is LDYRFYPMQPDTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-12-11-17-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h5-6,9-11,13H,2-4,7-8H2,1H3.
What are the key properties of 1-cyclohexyl-4-methylisoquinoline?
1-cyclohexyl-4-methylisoquinoline has a molecular weight of 225.34 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methylisoquinoline is sourced from PubChem (CID 72544132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).