N-but-3-enyl-4-ethyl-2-methyl-N-propylquinolin-6-amine

C19H26N2 — CID 157044008

IUPACN-but-3-enyl-4-ethyl-2-methyl-N-propylquinolin-6-amine
SMILESC=CCCN(CCC)c1ccc2nc(C)cc(CC)c2c1
InChIInChI=1S/C19H26N2/c1-5-8-12-21(11-6-2)17-9-10-19-18(14-17)16(7-3)13-15(4)20-19/h5,9-10,13-14H,1,6-8,11-12H2,2-4H3
InChIKeyIMHREHRAARYDMO-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.90
Rot. Bonds7

About N-but-3-enyl-4-ethyl-2-methyl-N-propylquinolin-6-amine

N-but-3-enyl-4-ethyl-2-methyl-N-propylquinolin-6-amine (PubChem CID 157044008) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-but-3-enyl-4-ethyl-2-methyl-N-propylquinolin-6-amine.

Molecular Properties

Compound NameN-but-3-enyl-4-ethyl-2-methyl-N-propylquinolin-6-amine
PubChem CID157044008
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-but-3-enyl-4-ethyl-2-methyl-N-propylquinolin-6-amine
SMILESC=CCCN(CCC)c1ccc2nc(C)cc(CC)c2c1
InChIInChI=1S/C19H26N2/c1-5-8-12-21(11-6-2)17-9-10-19-18(14-17)16(7-3)13-15(4)20-19/h5,9-10,13-14H,1,6-8,11-12H2,2-4H3
InChIKeyIMHREHRAARYDMO-UHFFFAOYSA-N
XLogP4.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.90
H-Bond Donors ≤ 50
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-but-3-enyl-4-ethyl-2-methyl-N-propylquinolin-6-amine?
The IUPAC name of N-but-3-enyl-4-ethyl-2-methyl-N-propylquinolin-6-amine (CID 157044008) is N-but-3-enyl-4-ethyl-2-methyl-N-propylquinolin-6-amine.
What is the SMILES notation for N-but-3-enyl-4-ethyl-2-methyl-N-propylquinolin-6-amine?
The canonical SMILES for N-but-3-enyl-4-ethyl-2-methyl-N-propylquinolin-6-amine is C=CCCN(CCC)c1ccc2nc(C)cc(CC)c2c1.
What is the InChIKey of N-but-3-enyl-4-ethyl-2-methyl-N-propylquinolin-6-amine?
The InChIKey is IMHREHRAARYDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-5-8-12-21(11-6-2)17-9-10-19-18(14-17)16(7-3)13-15(4)20-19/h5,9-10,13-14H,1,6-8,11-12H2,2-4H3.
What are the key properties of N-but-3-enyl-4-ethyl-2-methyl-N-propylquinolin-6-amine?
N-but-3-enyl-4-ethyl-2-methyl-N-propylquinolin-6-amine has a molecular weight of 282.43 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-4-ethyl-2-methyl-N-propylquinolin-6-amine is sourced from PubChem (CID 157044008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).