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

C16H30N2O — CID 62256682

IUPAC1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(CN2CCC3CCCCC3C2)CCOC1
InChIInChI=1S/C16H30N2O/c1-17-11-16(7-9-19-13-16)12-18-8-6-14-4-2-3-5-15(14)10-18/h14-15,17H,2-13H2,1H3
InChIKeyGZKKLFKPXBZAPB-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.12
Rot. Bonds4

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

1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine (PubChem CID 62256682) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine
PubChem CID62256682
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(CN2CCC3CCCCC3C2)CCOC1
InChIInChI=1S/C16H30N2O/c1-17-11-16(7-9-19-13-16)12-18-8-6-14-4-2-3-5-15(14)10-18/h14-15,17H,2-13H2,1H3
InChIKeyGZKKLFKPXBZAPB-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine (CID 62256682) is 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine is CNCC1(CN2CCC3CCCCC3C2)CCOC1.
What is the InChIKey of 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine?
The InChIKey is GZKKLFKPXBZAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-17-11-16(7-9-19-13-16)12-18-8-6-14-4-2-3-5-15(14)10-18/h14-15,17H,2-13H2,1H3.
What are the key properties of 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine?
1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine has a molecular weight of 266.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62256682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).