2-(2-methylpropyl)-4-propan-2-ylquinoline

C16H21N — CID 175426775

IUPAC2-(2-methylpropyl)-4-propan-2-ylquinoline
SMILESCC(C)Cc1cc(C(C)C)c2ccccc2n1
InChIInChI=1S/C16H21N/c1-11(2)9-13-10-15(12(3)4)14-7-5-6-8-16(14)17-13/h5-8,10-12H,9H2,1-4H3
InChIKeyPAMHUEHOPUCZSZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.56
Rot. Bonds3

About 2-(2-methylpropyl)-4-propan-2-ylquinoline

2-(2-methylpropyl)-4-propan-2-ylquinoline (PubChem CID 175426775) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4-propan-2-ylquinoline.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-propan-2-ylquinoline
PubChem CID175426775
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name2-(2-methylpropyl)-4-propan-2-ylquinoline
SMILESCC(C)Cc1cc(C(C)C)c2ccccc2n1
InChIInChI=1S/C16H21N/c1-11(2)9-13-10-15(12(3)4)14-7-5-6-8-16(14)17-13/h5-8,10-12H,9H2,1-4H3
InChIKeyPAMHUEHOPUCZSZ-UHFFFAOYSA-N
XLogP4.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4-propan-2-ylquinoline?
The IUPAC name of 2-(2-methylpropyl)-4-propan-2-ylquinoline (CID 175426775) is 2-(2-methylpropyl)-4-propan-2-ylquinoline.
What is the SMILES notation for 2-(2-methylpropyl)-4-propan-2-ylquinoline?
The canonical SMILES for 2-(2-methylpropyl)-4-propan-2-ylquinoline is CC(C)Cc1cc(C(C)C)c2ccccc2n1.
What is the InChIKey of 2-(2-methylpropyl)-4-propan-2-ylquinoline?
The InChIKey is PAMHUEHOPUCZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-11(2)9-13-10-15(12(3)4)14-7-5-6-8-16(14)17-13/h5-8,10-12H,9H2,1-4H3.
What are the key properties of 2-(2-methylpropyl)-4-propan-2-ylquinoline?
2-(2-methylpropyl)-4-propan-2-ylquinoline has a molecular weight of 227.35 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4-propan-2-ylquinoline is sourced from PubChem (CID 175426775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).