4-[2-(4-aminobutylimino)-3,3-dimethyl-1,4-dihydroquinolin-4-yl]-N-methylaniline

C22H30N4 — CID 135399973

IUPAC4-[2-(4-aminobutylimino)-3,3-dimethyl-1,4-dihydroquinolin-4-yl]-N-methylaniline
SMILESCNc1ccc(C2c3ccccc3N/C(=N\CCCCN)C2(C)C)cc1
InChIInChI=1S/C22H30N4/c1-22(2)20(16-10-12-17(24-3)13-11-16)18-8-4-5-9-19(18)26-21(22)25-15-7-6-14-23/h4-5,8-13,20,24H,6-7,14-15,23H2,1-3H3,(H,25,26)
InChIKeyDTQCHPMLUUYVOI-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.45
Rot. Bonds6

About 4-[2-(4-aminobutylimino)-3,3-dimethyl-1,4-dihydroquinolin-4-yl]-N-methylaniline

4-[2-(4-aminobutylimino)-3,3-dimethyl-1,4-dihydroquinolin-4-yl]-N-methylaniline (PubChem CID 135399973) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 4-[2-(4-aminobutylimino)-3,3-dimethyl-1,4-dihydroquinolin-4-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[2-(4-aminobutylimino)-3,3-dimethyl-1,4-dihydroquinolin-4-yl]-N-methylaniline
PubChem CID135399973
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name4-[2-(4-aminobutylimino)-3,3-dimethyl-1,4-dihydroquinolin-4-yl]-N-methylaniline
SMILESCNc1ccc(C2c3ccccc3N/C(=N\CCCCN)C2(C)C)cc1
InChIInChI=1S/C22H30N4/c1-22(2)20(16-10-12-17(24-3)13-11-16)18-8-4-5-9-19(18)26-21(22)25-15-7-6-14-23/h4-5,8-13,20,24H,6-7,14-15,23H2,1-3H3,(H,25,26)
InChIKeyDTQCHPMLUUYVOI-UHFFFAOYSA-N
XLogP4.45
TPSA62.44 Ų
H-Bond Donors3
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 ≤ 53
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 4-[2-(4-aminobutylimino)-3,3-dimethyl-1,4-dihydroquinolin-4-yl]-N-methylaniline?
The IUPAC name of 4-[2-(4-aminobutylimino)-3,3-dimethyl-1,4-dihydroquinolin-4-yl]-N-methylaniline (CID 135399973) is 4-[2-(4-aminobutylimino)-3,3-dimethyl-1,4-dihydroquinolin-4-yl]-N-methylaniline.
What is the SMILES notation for 4-[2-(4-aminobutylimino)-3,3-dimethyl-1,4-dihydroquinolin-4-yl]-N-methylaniline?
The canonical SMILES for 4-[2-(4-aminobutylimino)-3,3-dimethyl-1,4-dihydroquinolin-4-yl]-N-methylaniline is CNc1ccc(C2c3ccccc3N/C(=N\CCCCN)C2(C)C)cc1.
What is the InChIKey of 4-[2-(4-aminobutylimino)-3,3-dimethyl-1,4-dihydroquinolin-4-yl]-N-methylaniline?
The InChIKey is DTQCHPMLUUYVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-22(2)20(16-10-12-17(24-3)13-11-16)18-8-4-5-9-19(18)26-21(22)25-15-7-6-14-23/h4-5,8-13,20,24H,6-7,14-15,23H2,1-3H3,(H,25,26).
What are the key properties of 4-[2-(4-aminobutylimino)-3,3-dimethyl-1,4-dihydroquinolin-4-yl]-N-methylaniline?
4-[2-(4-aminobutylimino)-3,3-dimethyl-1,4-dihydroquinolin-4-yl]-N-methylaniline has a molecular weight of 350.51 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminobutylimino)-3,3-dimethyl-1,4-dihydroquinolin-4-yl]-N-methylaniline is sourced from PubChem (CID 135399973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).