2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline

C19H25N — CID 122214686

IUPAC2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1c1ccc2ccccc2n1
InChIInChI=1S/C19H25N/c1-13(2)16-10-8-14(3)12-17(16)19-11-9-15-6-4-5-7-18(15)20-19/h4-7,9,11,13-14,16-17H,8,10,12H2,1-3H3/t14-,16+,17-/m1/s1
InChIKeyDROHYGMDPWAUNI-HYVNUMGLSA-N
MW267.42 g/mol
LogP5.41
Rot. Bonds2

About 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline

2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline (PubChem CID 122214686) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline.

Molecular Properties

Compound Name2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline
PubChem CID122214686
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1c1ccc2ccccc2n1
InChIInChI=1S/C19H25N/c1-13(2)16-10-8-14(3)12-17(16)19-11-9-15-6-4-5-7-18(15)20-19/h4-7,9,11,13-14,16-17H,8,10,12H2,1-3H3/t14-,16+,17-/m1/s1
InChIKeyDROHYGMDPWAUNI-HYVNUMGLSA-N
XLogP5.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline?
The IUPAC name of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline (CID 122214686) is 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline.
What is the SMILES notation for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline?
The canonical SMILES for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1c1ccc2ccccc2n1.
What is the InChIKey of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline?
The InChIKey is DROHYGMDPWAUNI-HYVNUMGLSA-N. The full InChI is InChI=1S/C19H25N/c1-13(2)16-10-8-14(3)12-17(16)19-11-9-15-6-4-5-7-18(15)20-19/h4-7,9,11,13-14,16-17H,8,10,12H2,1-3H3/t14-,16+,17-/m1/s1.
What are the key properties of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline?
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline has a molecular weight of 267.42 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]quinoline is sourced from PubChem (CID 122214686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).