2-propyl-1,2,3,4-tetrahydroquinoline

C12H17N — CID 10511462

IUPAC2-propyl-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CCc2ccccc2N1
InChIInChI=1S/C12H17N/c1-2-5-11-9-8-10-6-3-4-7-12(10)13-11/h3-4,6-7,11,13H,2,5,8-9H2,1H3
InChIKeyRTQBHSJQNWVSGE-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.21
Rot. Bonds2

About 2-propyl-1,2,3,4-tetrahydroquinoline

2-propyl-1,2,3,4-tetrahydroquinoline (PubChem CID 10511462) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-propyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-propyl-1,2,3,4-tetrahydroquinoline
PubChem CID10511462
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2-propyl-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CCc2ccccc2N1
InChIInChI=1S/C12H17N/c1-2-5-11-9-8-10-6-3-4-7-12(10)13-11/h3-4,6-7,11,13H,2,5,8-9H2,1H3
InChIKeyRTQBHSJQNWVSGE-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-propyl-1,2,3,4-tetrahydroquinoline (CID 10511462) is 2-propyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-propyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-propyl-1,2,3,4-tetrahydroquinoline is CCCC1CCc2ccccc2N1.
What is the InChIKey of 2-propyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is RTQBHSJQNWVSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-2-5-11-9-8-10-6-3-4-7-12(10)13-11/h3-4,6-7,11,13H,2,5,8-9H2,1H3.
What are the key properties of 2-propyl-1,2,3,4-tetrahydroquinoline?
2-propyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 175.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 10511462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).