4-(aminomethyl)-N,N-diethylquinolin-2-amine

C14H19N3 — CID 62299448

IUPAC4-(aminomethyl)-N,N-diethylquinolin-2-amine
SMILESCCN(CC)c1cc(CN)c2ccccc2n1
InChIInChI=1S/C14H19N3/c1-3-17(4-2)14-9-11(10-15)12-7-5-6-8-13(12)16-14/h5-9H,3-4,10,15H2,1-2H3
InChIKeyYVLNZSXMIMKZKA-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.54
Rot. Bonds4

About 4-(aminomethyl)-N,N-diethylquinolin-2-amine

4-(aminomethyl)-N,N-diethylquinolin-2-amine (PubChem CID 62299448) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-diethylquinolin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-diethylquinolin-2-amine
PubChem CID62299448
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-(aminomethyl)-N,N-diethylquinolin-2-amine
SMILESCCN(CC)c1cc(CN)c2ccccc2n1
InChIInChI=1S/C14H19N3/c1-3-17(4-2)14-9-11(10-15)12-7-5-6-8-13(12)16-14/h5-9H,3-4,10,15H2,1-2H3
InChIKeyYVLNZSXMIMKZKA-UHFFFAOYSA-N
XLogP2.54
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-diethylquinolin-2-amine?
The IUPAC name of 4-(aminomethyl)-N,N-diethylquinolin-2-amine (CID 62299448) is 4-(aminomethyl)-N,N-diethylquinolin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N,N-diethylquinolin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N,N-diethylquinolin-2-amine is CCN(CC)c1cc(CN)c2ccccc2n1.
What is the InChIKey of 4-(aminomethyl)-N,N-diethylquinolin-2-amine?
The InChIKey is YVLNZSXMIMKZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-17(4-2)14-9-11(10-15)12-7-5-6-8-13(12)16-14/h5-9H,3-4,10,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,N-diethylquinolin-2-amine?
4-(aminomethyl)-N,N-diethylquinolin-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-diethylquinolin-2-amine is sourced from PubChem (CID 62299448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).