3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine

C17H24N2 — CID 63479608

IUPAC3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(CC)c(C)nc2cc(C)cc(C)c12
InChIInChI=1S/C17H24N2/c1-6-8-18-17-14(7-2)13(5)19-15-10-11(3)9-12(4)16(15)17/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyXWOCOQMZQPNDQR-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.54
Rot. Bonds4

About 3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine

3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine (PubChem CID 63479608) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine
PubChem CID63479608
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(CC)c(C)nc2cc(C)cc(C)c12
InChIInChI=1S/C17H24N2/c1-6-8-18-17-14(7-2)13(5)19-15-10-11(3)9-12(4)16(15)17/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyXWOCOQMZQPNDQR-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine?
The IUPAC name of 3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine (CID 63479608) is 3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine.
What is the SMILES notation for 3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine?
The canonical SMILES for 3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine is CCCNc1c(CC)c(C)nc2cc(C)cc(C)c12.
What is the InChIKey of 3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine?
The InChIKey is XWOCOQMZQPNDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-6-8-18-17-14(7-2)13(5)19-15-10-11(3)9-12(4)16(15)17/h9-10H,6-8H2,1-5H3,(H,18,19).
What are the key properties of 3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine?
3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine has a molecular weight of 256.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine is sourced from PubChem (CID 63479608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).