4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine

C16H24N2O — CID 106902332

IUPAC4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine
SMILESCC1(NCC2CNc3ccccc3C2)CCOCC1
InChIInChI=1S/C16H24N2O/c1-16(6-8-19-9-7-16)18-12-13-10-14-4-2-3-5-15(14)17-11-13/h2-5,13,17-18H,6-12H2,1H3
InChIKeyTVQVAXGZGPVRFR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.43
Rot. Bonds3

About 4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine

4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine (PubChem CID 106902332) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine
PubChem CID106902332
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine
SMILESCC1(NCC2CNc3ccccc3C2)CCOCC1
InChIInChI=1S/C16H24N2O/c1-16(6-8-19-9-7-16)18-12-13-10-14-4-2-3-5-15(14)17-11-13/h2-5,13,17-18H,6-12H2,1H3
InChIKeyTVQVAXGZGPVRFR-UHFFFAOYSA-N
XLogP2.43
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine?
The IUPAC name of 4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine (CID 106902332) is 4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine.
What is the SMILES notation for 4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine?
The canonical SMILES for 4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine is CC1(NCC2CNc3ccccc3C2)CCOCC1.
What is the InChIKey of 4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine?
The InChIKey is TVQVAXGZGPVRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(6-8-19-9-7-16)18-12-13-10-14-4-2-3-5-15(14)17-11-13/h2-5,13,17-18H,6-12H2,1H3.
What are the key properties of 4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine?
4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine is sourced from PubChem (CID 106902332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).