1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-aminoethanone

C11H18N2O — CID 66794324

IUPAC1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-aminoethanone
SMILESNCC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C11H18N2O/c12-8-11(14)13-7-3-5-9-4-1-2-6-10(9)13/h6,9H,1-5,7-8,12H2
InChIKeyUSDWJMJSRLMCAI-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.25
Rot. Bonds1

About 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-aminoethanone

1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-aminoethanone (PubChem CID 66794324) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-aminoethanone.

Molecular Properties

Compound Name1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-aminoethanone
PubChem CID66794324
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-aminoethanone
SMILESNCC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C11H18N2O/c12-8-11(14)13-7-3-5-9-4-1-2-6-10(9)13/h6,9H,1-5,7-8,12H2
InChIKeyUSDWJMJSRLMCAI-UHFFFAOYSA-N
XLogP1.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-aminoethanone?
The IUPAC name of 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-aminoethanone (CID 66794324) is 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-aminoethanone.
What is the SMILES notation for 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-aminoethanone?
The canonical SMILES for 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-aminoethanone is NCC(=O)N1CCCC2CCCC=C21.
What is the InChIKey of 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-aminoethanone?
The InChIKey is USDWJMJSRLMCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-8-11(14)13-7-3-5-9-4-1-2-6-10(9)13/h6,9H,1-5,7-8,12H2.
What are the key properties of 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-aminoethanone?
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-aminoethanone has a molecular weight of 194.28 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-aminoethanone is sourced from PubChem (CID 66794324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).