N-ethyl-4-(methylaminomethyl)-N-propan-2-ylquinolin-2-amine

C16H23N3 — CID 62281272

IUPACN-ethyl-4-(methylaminomethyl)-N-propan-2-ylquinolin-2-amine
SMILESCCN(c1cc(CNC)c2ccccc2n1)C(C)C
InChIInChI=1S/C16H23N3/c1-5-19(12(2)3)16-10-13(11-17-4)14-8-6-7-9-15(14)18-16/h6-10,12,17H,5,11H2,1-4H3
InChIKeySIBCCTIDHBHHCT-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.19
Rot. Bonds5

About N-ethyl-4-(methylaminomethyl)-N-propan-2-ylquinolin-2-amine

N-ethyl-4-(methylaminomethyl)-N-propan-2-ylquinolin-2-amine (PubChem CID 62281272) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-4-(methylaminomethyl)-N-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(methylaminomethyl)-N-propan-2-ylquinolin-2-amine
PubChem CID62281272
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-ethyl-4-(methylaminomethyl)-N-propan-2-ylquinolin-2-amine
SMILESCCN(c1cc(CNC)c2ccccc2n1)C(C)C
InChIInChI=1S/C16H23N3/c1-5-19(12(2)3)16-10-13(11-17-4)14-8-6-7-9-15(14)18-16/h6-10,12,17H,5,11H2,1-4H3
InChIKeySIBCCTIDHBHHCT-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(methylaminomethyl)-N-propan-2-ylquinolin-2-amine?
The IUPAC name of N-ethyl-4-(methylaminomethyl)-N-propan-2-ylquinolin-2-amine (CID 62281272) is N-ethyl-4-(methylaminomethyl)-N-propan-2-ylquinolin-2-amine.
What is the SMILES notation for N-ethyl-4-(methylaminomethyl)-N-propan-2-ylquinolin-2-amine?
The canonical SMILES for N-ethyl-4-(methylaminomethyl)-N-propan-2-ylquinolin-2-amine is CCN(c1cc(CNC)c2ccccc2n1)C(C)C.
What is the InChIKey of N-ethyl-4-(methylaminomethyl)-N-propan-2-ylquinolin-2-amine?
The InChIKey is SIBCCTIDHBHHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-19(12(2)3)16-10-13(11-17-4)14-8-6-7-9-15(14)18-16/h6-10,12,17H,5,11H2,1-4H3.
What are the key properties of N-ethyl-4-(methylaminomethyl)-N-propan-2-ylquinolin-2-amine?
N-ethyl-4-(methylaminomethyl)-N-propan-2-ylquinolin-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(methylaminomethyl)-N-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 62281272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).