3-methyl-N-octan-4-ylquinolin-2-amine

C18H26N2 — CID 106026571

IUPAC3-methyl-N-octan-4-ylquinolin-2-amine
SMILESCCCCC(CCC)Nc1nc2ccccc2cc1C
InChIInChI=1S/C18H26N2/c1-4-6-11-16(9-5-2)19-18-14(3)13-15-10-7-8-12-17(15)20-18/h7-8,10,12-13,16H,4-6,9,11H2,1-3H3,(H,19,20)
InChIKeyABAIKGIOMQYIQV-UHFFFAOYSA-N
MW270.42 g/mol
LogP5.31
Rot. Bonds7

About 3-methyl-N-octan-4-ylquinolin-2-amine

3-methyl-N-octan-4-ylquinolin-2-amine (PubChem CID 106026571) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-methyl-N-octan-4-ylquinolin-2-amine.

Molecular Properties

Compound Name3-methyl-N-octan-4-ylquinolin-2-amine
PubChem CID106026571
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name3-methyl-N-octan-4-ylquinolin-2-amine
SMILESCCCCC(CCC)Nc1nc2ccccc2cc1C
InChIInChI=1S/C18H26N2/c1-4-6-11-16(9-5-2)19-18-14(3)13-15-10-7-8-12-17(15)20-18/h7-8,10,12-13,16H,4-6,9,11H2,1-3H3,(H,19,20)
InChIKeyABAIKGIOMQYIQV-UHFFFAOYSA-N
XLogP5.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-octan-4-ylquinolin-2-amine?
The IUPAC name of 3-methyl-N-octan-4-ylquinolin-2-amine (CID 106026571) is 3-methyl-N-octan-4-ylquinolin-2-amine.
What is the SMILES notation for 3-methyl-N-octan-4-ylquinolin-2-amine?
The canonical SMILES for 3-methyl-N-octan-4-ylquinolin-2-amine is CCCCC(CCC)Nc1nc2ccccc2cc1C.
What is the InChIKey of 3-methyl-N-octan-4-ylquinolin-2-amine?
The InChIKey is ABAIKGIOMQYIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-4-6-11-16(9-5-2)19-18-14(3)13-15-10-7-8-12-17(15)20-18/h7-8,10,12-13,16H,4-6,9,11H2,1-3H3,(H,19,20).
What are the key properties of 3-methyl-N-octan-4-ylquinolin-2-amine?
3-methyl-N-octan-4-ylquinolin-2-amine has a molecular weight of 270.42 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-octan-4-ylquinolin-2-amine is sourced from PubChem (CID 106026571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).