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

C16H30N2O — CID 102728271

IUPAC1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(CN2CCC[C@H]3CCCC[C@H]32)CCOC1
InChIInChI=1S/C16H30N2O/c1-17-11-16(8-10-19-13-16)12-18-9-4-6-14-5-2-3-7-15(14)18/h14-15,17H,2-13H2,1H3/t14-,15-,16?/m1/s1
InChIKeyOSSURRILIRIOLO-YGFGXBMJSA-N
MW266.43 g/mol
LogP2.27
Rot. Bonds4

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

1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine (PubChem CID 102728271) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine
PubChem CID102728271
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(CN2CCC[C@H]3CCCC[C@H]32)CCOC1
InChIInChI=1S/C16H30N2O/c1-17-11-16(8-10-19-13-16)12-18-9-4-6-14-5-2-3-7-15(14)18/h14-15,17H,2-13H2,1H3/t14-,15-,16?/m1/s1
InChIKeyOSSURRILIRIOLO-YGFGXBMJSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine (CID 102728271) is 1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine is CNCC1(CN2CCC[C@H]3CCCC[C@H]32)CCOC1.
What is the InChIKey of 1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine?
The InChIKey is OSSURRILIRIOLO-YGFGXBMJSA-N. The full InChI is InChI=1S/C16H30N2O/c1-17-11-16(8-10-19-13-16)12-18-9-4-6-14-5-2-3-7-15(14)18/h14-15,17H,2-13H2,1H3/t14-,15-,16?/m1/s1.
What are the key properties of 1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine?
1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine has a molecular weight of 266.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]oxolan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 102728271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).