1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine

C16H26N2O — CID 80649851

IUPAC1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine
SMILESCCCC(COC)NCc1cccc2c1NCCC2
InChIInChI=1S/C16H26N2O/c1-3-6-15(12-19-2)18-11-14-8-4-7-13-9-5-10-17-16(13)14/h4,7-8,15,17-18H,3,5-6,9-12H2,1-2H3
InChIKeyICNFATATDDZZMO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.95
Rot. Bonds7

About 1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine

1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine (PubChem CID 80649851) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine
PubChem CID80649851
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine
SMILESCCCC(COC)NCc1cccc2c1NCCC2
InChIInChI=1S/C16H26N2O/c1-3-6-15(12-19-2)18-11-14-8-4-7-13-9-5-10-17-16(13)14/h4,7-8,15,17-18H,3,5-6,9-12H2,1-2H3
InChIKeyICNFATATDDZZMO-UHFFFAOYSA-N
XLogP2.95
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine?
The IUPAC name of 1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine (CID 80649851) is 1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine.
What is the SMILES notation for 1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine?
The canonical SMILES for 1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine is CCCC(COC)NCc1cccc2c1NCCC2.
What is the InChIKey of 1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine?
The InChIKey is ICNFATATDDZZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-6-15(12-19-2)18-11-14-8-4-7-13-9-5-10-17-16(13)14/h4,7-8,15,17-18H,3,5-6,9-12H2,1-2H3.
What are the key properties of 1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine?
1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pentan-2-amine is sourced from PubChem (CID 80649851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).