3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline

C15H23N — CID 82113977

IUPAC3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline
SMILESCC(C)c1cnc2c(c1)CC(C(C)C)CC2
InChIInChI=1S/C15H23N/c1-10(2)12-5-6-15-13(7-12)8-14(9-16-15)11(3)4/h8-12H,5-7H2,1-4H3
InChIKeyCWIRQILBXQSWNC-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.97
Rot. Bonds2

About 3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline

3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline (PubChem CID 82113977) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline
PubChem CID82113977
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline
SMILESCC(C)c1cnc2c(c1)CC(C(C)C)CC2
InChIInChI=1S/C15H23N/c1-10(2)12-5-6-15-13(7-12)8-14(9-16-15)11(3)4/h8-12H,5-7H2,1-4H3
InChIKeyCWIRQILBXQSWNC-UHFFFAOYSA-N
XLogP3.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline (CID 82113977) is 3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline is CC(C)c1cnc2c(c1)CC(C(C)C)CC2.
What is the InChIKey of 3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is CWIRQILBXQSWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-10(2)12-5-6-15-13(7-12)8-14(9-16-15)11(3)4/h8-12H,5-7H2,1-4H3.
What are the key properties of 3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline?
3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 217.36 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 82113977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).