N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,4,6-trimethylaniline

C20H32N2 — CID 46837258

IUPACN-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCC[C@@H]2CCCN3CCCC[C@H]23)c(C)c1
InChIInChI=1S/C20H32N2/c1-15-13-16(2)20(17(3)14-15)21-10-9-18-7-6-12-22-11-5-4-8-19(18)22/h13-14,18-19,21H,4-12H2,1-3H3/t18-,19+/m0/s1
InChIKeyCUVWKWHSKBVGCG-RBUKOAKNSA-N
MW300.49 g/mol
LogP4.68
Rot. Bonds4

About N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,4,6-trimethylaniline

N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,4,6-trimethylaniline (PubChem CID 46837258) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,4,6-trimethylaniline
PubChem CID46837258
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC NameN-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCC[C@@H]2CCCN3CCCC[C@H]23)c(C)c1
InChIInChI=1S/C20H32N2/c1-15-13-16(2)20(17(3)14-15)21-10-9-18-7-6-12-22-11-5-4-8-19(18)22/h13-14,18-19,21H,4-12H2,1-3H3/t18-,19+/m0/s1
InChIKeyCUVWKWHSKBVGCG-RBUKOAKNSA-N
XLogP4.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,4,6-trimethylaniline (CID 46837258) is N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,4,6-trimethylaniline is Cc1cc(C)c(NCC[C@@H]2CCCN3CCCC[C@H]23)c(C)c1.
What is the InChIKey of N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,4,6-trimethylaniline?
The InChIKey is CUVWKWHSKBVGCG-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H32N2/c1-15-13-16(2)20(17(3)14-15)21-10-9-18-7-6-12-22-11-5-4-8-19(18)22/h13-14,18-19,21H,4-12H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,4,6-trimethylaniline?
N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,4,6-trimethylaniline has a molecular weight of 300.49 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 46837258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).