1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrobromide

C9H18BrN — CID 71357222

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrobromide
SMILESBr.C1CCC2NCCCC2C1
InChIInChI=1S/C9H17N.BrH/c1-2-6-9-8(4-1)5-3-7-10-9;/h8-10H,1-7H2;1H
InChIKeyGGAFEMUDOBHPDK-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.51
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrobromide

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrobromide (PubChem CID 71357222) has the molecular formula C9H18BrN and a molecular weight of 220.15 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrobromide.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrobromide
PubChem CID71357222
Molecular FormulaC9H18BrN
Molecular Weight220.15 g/mol
Exact Mass219.06
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrobromide
SMILESBr.C1CCC2NCCCC2C1
InChIInChI=1S/C9H17N.BrH/c1-2-6-9-8(4-1)5-3-7-10-9;/h8-10H,1-7H2;1H
InChIKeyGGAFEMUDOBHPDK-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrobromide?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrobromide (CID 71357222) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrobromide.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrobromide?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrobromide is Br.C1CCC2NCCCC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrobromide?
The InChIKey is GGAFEMUDOBHPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.BrH/c1-2-6-9-8(4-1)5-3-7-10-9;/h8-10H,1-7H2;1H.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrobromide?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrobromide has a molecular weight of 220.15 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrobromide is sourced from PubChem (CID 71357222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).