1-(2-methylcyclohexyl)-3,4,5,6,7,8-hexahydroisoquinoline

C16H25N — CID 24869328

IUPAC1-(2-methylcyclohexyl)-3,4,5,6,7,8-hexahydroisoquinoline
SMILESCC1CCCCC1C1=NCCC2=C1CCCC2
InChIInChI=1S/C16H25N/c1-12-6-2-4-8-14(12)16-15-9-5-3-7-13(15)10-11-17-16/h12,14H,2-11H2,1H3
InChIKeyDSJMDPNYQZCYGD-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.53
Rot. Bonds1

About 1-(2-methylcyclohexyl)-3,4,5,6,7,8-hexahydroisoquinoline

1-(2-methylcyclohexyl)-3,4,5,6,7,8-hexahydroisoquinoline (PubChem CID 24869328) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-3,4,5,6,7,8-hexahydroisoquinoline.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-3,4,5,6,7,8-hexahydroisoquinoline
PubChem CID24869328
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(2-methylcyclohexyl)-3,4,5,6,7,8-hexahydroisoquinoline
SMILESCC1CCCCC1C1=NCCC2=C1CCCC2
InChIInChI=1S/C16H25N/c1-12-6-2-4-8-14(12)16-15-9-5-3-7-13(15)10-11-17-16/h12,14H,2-11H2,1H3
InChIKeyDSJMDPNYQZCYGD-UHFFFAOYSA-N
XLogP4.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-3,4,5,6,7,8-hexahydroisoquinoline?
The IUPAC name of 1-(2-methylcyclohexyl)-3,4,5,6,7,8-hexahydroisoquinoline (CID 24869328) is 1-(2-methylcyclohexyl)-3,4,5,6,7,8-hexahydroisoquinoline.
What is the SMILES notation for 1-(2-methylcyclohexyl)-3,4,5,6,7,8-hexahydroisoquinoline?
The canonical SMILES for 1-(2-methylcyclohexyl)-3,4,5,6,7,8-hexahydroisoquinoline is CC1CCCCC1C1=NCCC2=C1CCCC2.
What is the InChIKey of 1-(2-methylcyclohexyl)-3,4,5,6,7,8-hexahydroisoquinoline?
The InChIKey is DSJMDPNYQZCYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-6-2-4-8-14(12)16-15-9-5-3-7-13(15)10-11-17-16/h12,14H,2-11H2,1H3.
What are the key properties of 1-(2-methylcyclohexyl)-3,4,5,6,7,8-hexahydroisoquinoline?
1-(2-methylcyclohexyl)-3,4,5,6,7,8-hexahydroisoquinoline has a molecular weight of 231.38 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-3,4,5,6,7,8-hexahydroisoquinoline is sourced from PubChem (CID 24869328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).