1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine

C11H22N2 — CID 170308578

IUPAC1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine
SMILESCCN1C(N)CCC2CCCCC21
InChIInChI=1S/C11H22N2/c1-2-13-10-6-4-3-5-9(10)7-8-11(13)12/h9-11H,2-8,12H2,1H3
InChIKeyXQUJDONXOFARSA-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.95
Rot. Bonds1

About 1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine

1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine (PubChem CID 170308578) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine.

Molecular Properties

Compound Name1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine
PubChem CID170308578
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine
SMILESCCN1C(N)CCC2CCCCC21
InChIInChI=1S/C11H22N2/c1-2-13-10-6-4-3-5-9(10)7-8-11(13)12/h9-11H,2-8,12H2,1H3
InChIKeyXQUJDONXOFARSA-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine?
The IUPAC name of 1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine (CID 170308578) is 1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine.
What is the SMILES notation for 1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine?
The canonical SMILES for 1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine is CCN1C(N)CCC2CCCCC21.
What is the InChIKey of 1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine?
The InChIKey is XQUJDONXOFARSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-13-10-6-4-3-5-9(10)7-8-11(13)12/h9-11H,2-8,12H2,1H3.
What are the key properties of 1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine?
1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine has a molecular weight of 182.31 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-amine is sourced from PubChem (CID 170308578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).