propane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline

C15H25N — CID 168959227

IUPACpropane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)c1cnc2c(c1)CCCC2.CCC
InChIInChI=1S/C12H17N.C3H8/c1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-3-2/h7-9H,3-6H2,1-2H3;3H2,1-2H3
InChIKeyPTIMPSOILMPRQP-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.50
Rot. Bonds1

About propane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline

propane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 168959227) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is propane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Namepropane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline
PubChem CID168959227
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Namepropane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline
SMILESCC(C)c1cnc2c(c1)CCCC2.CCC
InChIInChI=1S/C12H17N.C3H8/c1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-3-2/h7-9H,3-6H2,1-2H3;3H2,1-2H3
InChIKeyPTIMPSOILMPRQP-UHFFFAOYSA-N
XLogP4.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of propane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline (CID 168959227) is propane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for propane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for propane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline is CC(C)c1cnc2c(c1)CCCC2.CCC.
What is the InChIKey of propane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline?
The InChIKey is PTIMPSOILMPRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C3H8/c1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-3-2/h7-9H,3-6H2,1-2H3;3H2,1-2H3.
What are the key properties of propane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline?
propane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline has a molecular weight of 219.37 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;3-propan-2-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 168959227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).