2-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline

C12H19N — CID 134228469

IUPAC2-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline
SMILESCC(C)C1=NC2CCCCC2C=C1
InChIInChI=1S/C12H19N/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11/h7-10,12H,3-6H2,1-2H3
InChIKeyVHQCRJFIMSNBAK-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.21
Rot. Bonds1

About 2-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline

2-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline (PubChem CID 134228469) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline.

Molecular Properties

Compound Name2-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline
PubChem CID134228469
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline
SMILESCC(C)C1=NC2CCCCC2C=C1
InChIInChI=1S/C12H19N/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11/h7-10,12H,3-6H2,1-2H3
InChIKeyVHQCRJFIMSNBAK-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline?
The IUPAC name of 2-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline (CID 134228469) is 2-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline.
What is the SMILES notation for 2-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline?
The canonical SMILES for 2-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline is CC(C)C1=NC2CCCCC2C=C1.
What is the InChIKey of 2-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline?
The InChIKey is VHQCRJFIMSNBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11/h7-10,12H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline?
2-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline has a molecular weight of 177.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline is sourced from PubChem (CID 134228469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).