2-[[ethyl(propyl)amino]methyl]quinolin-4-amine

C15H21N3 — CID 113319911

IUPAC2-[[ethyl(propyl)amino]methyl]quinolin-4-amine
SMILESCCCN(CC)Cc1cc(N)c2ccccc2n1
InChIInChI=1S/C15H21N3/c1-3-9-18(4-2)11-12-10-14(16)13-7-5-6-8-15(13)17-12/h5-8,10H,3-4,9,11H2,1-2H3,(H2,16,17)
InChIKeyCHQOINPECQZRPZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.05
Rot. Bonds5

About 2-[[ethyl(propyl)amino]methyl]quinolin-4-amine

2-[[ethyl(propyl)amino]methyl]quinolin-4-amine (PubChem CID 113319911) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[ethyl(propyl)amino]methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[[ethyl(propyl)amino]methyl]quinolin-4-amine
PubChem CID113319911
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[[ethyl(propyl)amino]methyl]quinolin-4-amine
SMILESCCCN(CC)Cc1cc(N)c2ccccc2n1
InChIInChI=1S/C15H21N3/c1-3-9-18(4-2)11-12-10-14(16)13-7-5-6-8-15(13)17-12/h5-8,10H,3-4,9,11H2,1-2H3,(H2,16,17)
InChIKeyCHQOINPECQZRPZ-UHFFFAOYSA-N
XLogP3.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(propyl)amino]methyl]quinolin-4-amine?
The IUPAC name of 2-[[ethyl(propyl)amino]methyl]quinolin-4-amine (CID 113319911) is 2-[[ethyl(propyl)amino]methyl]quinolin-4-amine.
What is the SMILES notation for 2-[[ethyl(propyl)amino]methyl]quinolin-4-amine?
The canonical SMILES for 2-[[ethyl(propyl)amino]methyl]quinolin-4-amine is CCCN(CC)Cc1cc(N)c2ccccc2n1.
What is the InChIKey of 2-[[ethyl(propyl)amino]methyl]quinolin-4-amine?
The InChIKey is CHQOINPECQZRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-9-18(4-2)11-12-10-14(16)13-7-5-6-8-15(13)17-12/h5-8,10H,3-4,9,11H2,1-2H3,(H2,16,17).
What are the key properties of 2-[[ethyl(propyl)amino]methyl]quinolin-4-amine?
2-[[ethyl(propyl)amino]methyl]quinolin-4-amine has a molecular weight of 243.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(propyl)amino]methyl]quinolin-4-amine is sourced from PubChem (CID 113319911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).