N-ethyl-1-quinolin-2-ylpent-4-en-2-amine

C16H20N2 — CID 116660895

IUPACN-ethyl-1-quinolin-2-ylpent-4-en-2-amine
SMILESC=CCC(Cc1ccc2ccccc2n1)NCC
InChIInChI=1S/C16H20N2/c1-3-7-14(17-4-2)12-15-11-10-13-8-5-6-9-16(13)18-15/h3,5-6,8-11,14,17H,1,4,7,12H2,2H3
InChIKeyRQJYXHHPVPKBNG-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.33
Rot. Bonds6

About N-ethyl-1-quinolin-2-ylpent-4-en-2-amine

N-ethyl-1-quinolin-2-ylpent-4-en-2-amine (PubChem CID 116660895) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-ethyl-1-quinolin-2-ylpent-4-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-quinolin-2-ylpent-4-en-2-amine
PubChem CID116660895
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-ethyl-1-quinolin-2-ylpent-4-en-2-amine
SMILESC=CCC(Cc1ccc2ccccc2n1)NCC
InChIInChI=1S/C16H20N2/c1-3-7-14(17-4-2)12-15-11-10-13-8-5-6-9-16(13)18-15/h3,5-6,8-11,14,17H,1,4,7,12H2,2H3
InChIKeyRQJYXHHPVPKBNG-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-quinolin-2-ylpent-4-en-2-amine?
The IUPAC name of N-ethyl-1-quinolin-2-ylpent-4-en-2-amine (CID 116660895) is N-ethyl-1-quinolin-2-ylpent-4-en-2-amine.
What is the SMILES notation for N-ethyl-1-quinolin-2-ylpent-4-en-2-amine?
The canonical SMILES for N-ethyl-1-quinolin-2-ylpent-4-en-2-amine is C=CCC(Cc1ccc2ccccc2n1)NCC.
What is the InChIKey of N-ethyl-1-quinolin-2-ylpent-4-en-2-amine?
The InChIKey is RQJYXHHPVPKBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-7-14(17-4-2)12-15-11-10-13-8-5-6-9-16(13)18-15/h3,5-6,8-11,14,17H,1,4,7,12H2,2H3.
What are the key properties of N-ethyl-1-quinolin-2-ylpent-4-en-2-amine?
N-ethyl-1-quinolin-2-ylpent-4-en-2-amine has a molecular weight of 240.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-quinolin-2-ylpent-4-en-2-amine is sourced from PubChem (CID 116660895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).