[3-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)phenyl] N,N-dimethylcarbamate

C19H28N2O2 — CID 10852905

IUPAC[3-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc(C2CC3CCCCC3N(C)C2)c1
InChIInChI=1S/C19H28N2O2/c1-20(2)19(22)23-17-9-6-8-14(12-17)16-11-15-7-4-5-10-18(15)21(3)13-16/h6,8-9,12,15-16,18H,4-5,7,10-11,13H2,1-3H3
InChIKeyAQRHMXHEMCHOEI-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.72
Rot. Bonds2

About [3-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)phenyl] N,N-dimethylcarbamate

[3-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)phenyl] N,N-dimethylcarbamate (PubChem CID 10852905) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is [3-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)phenyl] N,N-dimethylcarbamate
PubChem CID10852905
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name[3-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)phenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc(C2CC3CCCCC3N(C)C2)c1
InChIInChI=1S/C19H28N2O2/c1-20(2)19(22)23-17-9-6-8-14(12-17)16-11-15-7-4-5-10-18(15)21(3)13-16/h6,8-9,12,15-16,18H,4-5,7,10-11,13H2,1-3H3
InChIKeyAQRHMXHEMCHOEI-UHFFFAOYSA-N
XLogP3.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)phenyl] N,N-dimethylcarbamate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)phenyl] N,N-dimethylcarbamate (CID 10852905) is [3-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)phenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1cccc(C2CC3CCCCC3N(C)C2)c1.
What is the InChIKey of [3-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)phenyl] N,N-dimethylcarbamate?
The InChIKey is AQRHMXHEMCHOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-20(2)19(22)23-17-9-6-8-14(12-17)16-11-15-7-4-5-10-18(15)21(3)13-16/h6,8-9,12,15-16,18H,4-5,7,10-11,13H2,1-3H3.
What are the key properties of [3-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)phenyl] N,N-dimethylcarbamate?
[3-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)phenyl] N,N-dimethylcarbamate has a molecular weight of 316.44 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl)phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 10852905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).