2-(4-aminobutylimino)-N,3,3-trimethyl-N-phenyl-1,4-dihydroquinolin-4-amine

C22H30N4 — CID 135445999

IUPAC2-(4-aminobutylimino)-N,3,3-trimethyl-N-phenyl-1,4-dihydroquinolin-4-amine
SMILESCN(c1ccccc1)C1c2ccccc2N/C(=N\CCCCN)C1(C)C
InChIInChI=1S/C22H30N4/c1-22(2)20(26(3)17-11-5-4-6-12-17)18-13-7-8-14-19(18)25-21(22)24-16-10-9-15-23/h4-8,11-14,20H,9-10,15-16,23H2,1-3H3,(H,24,25)
InChIKeyPSUQUCUASWFFCH-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.45
Rot. Bonds6

About 2-(4-aminobutylimino)-N,3,3-trimethyl-N-phenyl-1,4-dihydroquinolin-4-amine

2-(4-aminobutylimino)-N,3,3-trimethyl-N-phenyl-1,4-dihydroquinolin-4-amine (PubChem CID 135445999) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-(4-aminobutylimino)-N,3,3-trimethyl-N-phenyl-1,4-dihydroquinolin-4-amine.

Molecular Properties

Compound Name2-(4-aminobutylimino)-N,3,3-trimethyl-N-phenyl-1,4-dihydroquinolin-4-amine
PubChem CID135445999
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name2-(4-aminobutylimino)-N,3,3-trimethyl-N-phenyl-1,4-dihydroquinolin-4-amine
SMILESCN(c1ccccc1)C1c2ccccc2N/C(=N\CCCCN)C1(C)C
InChIInChI=1S/C22H30N4/c1-22(2)20(26(3)17-11-5-4-6-12-17)18-13-7-8-14-19(18)25-21(22)24-16-10-9-15-23/h4-8,11-14,20H,9-10,15-16,23H2,1-3H3,(H,24,25)
InChIKeyPSUQUCUASWFFCH-UHFFFAOYSA-N
XLogP4.45
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutylimino)-N,3,3-trimethyl-N-phenyl-1,4-dihydroquinolin-4-amine?
The IUPAC name of 2-(4-aminobutylimino)-N,3,3-trimethyl-N-phenyl-1,4-dihydroquinolin-4-amine (CID 135445999) is 2-(4-aminobutylimino)-N,3,3-trimethyl-N-phenyl-1,4-dihydroquinolin-4-amine.
What is the SMILES notation for 2-(4-aminobutylimino)-N,3,3-trimethyl-N-phenyl-1,4-dihydroquinolin-4-amine?
The canonical SMILES for 2-(4-aminobutylimino)-N,3,3-trimethyl-N-phenyl-1,4-dihydroquinolin-4-amine is CN(c1ccccc1)C1c2ccccc2N/C(=N\CCCCN)C1(C)C.
What is the InChIKey of 2-(4-aminobutylimino)-N,3,3-trimethyl-N-phenyl-1,4-dihydroquinolin-4-amine?
The InChIKey is PSUQUCUASWFFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-22(2)20(26(3)17-11-5-4-6-12-17)18-13-7-8-14-19(18)25-21(22)24-16-10-9-15-23/h4-8,11-14,20H,9-10,15-16,23H2,1-3H3,(H,24,25).
What are the key properties of 2-(4-aminobutylimino)-N,3,3-trimethyl-N-phenyl-1,4-dihydroquinolin-4-amine?
2-(4-aminobutylimino)-N,3,3-trimethyl-N-phenyl-1,4-dihydroquinolin-4-amine has a molecular weight of 350.51 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutylimino)-N,3,3-trimethyl-N-phenyl-1,4-dihydroquinolin-4-amine is sourced from PubChem (CID 135445999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).