6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C13H25N — CID 43185318

IUPAC6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC(C)(C)C1CCC2NCCCC2C1
InChIInChI=1S/C13H25N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h10-12,14H,4-9H2,1-3H3
InChIKeyNIMAYHSYMVZOPT-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.20
Rot. Bonds

About 6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 43185318) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID43185318
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC(C)(C)C1CCC2NCCCC2C1
InChIInChI=1S/C13H25N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h10-12,14H,4-9H2,1-3H3
InChIKeyNIMAYHSYMVZOPT-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of 6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 43185318) is 6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for 6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for 6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is CC(C)(C)C1CCC2NCCCC2C1.
What is the InChIKey of 6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is NIMAYHSYMVZOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 195.35 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 43185318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).