4-[(diisobutylamino)methyl]-N-(3-{methyl[2-(4-pyridinyl)ethyl]amino}propyl)-1,2-benzenediamine

HCID 69028166
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Basic information

Standard SMILES
CC(C)CN(Cc1ccc(NCCCN(C)CCc2ccncc2)c(N)c1)CC(C)C
InChIKey
DENSVGDJEXPEMS-UHFFFAOYSA-N
Molecular formula
C26H43N5
Average molar mass
425.7 g/mol
Monoisotopic mass
425.35184639

Names & identifiers

Preferred name
4-[(diisobutylamino)methyl]-N-(3-{methyl[2-(4-pyridinyl)ethyl]amino}propyl)-1,2-benzenediamine
IUPAC
4-[[bis(2-methylpropyl)amino]methyl]-1-N-[3-[methyl(2-pyridin-4-ylethyl)amino]propyl]benzene-1,2-diamine

Names & synonyms

SCHEMBL4396689DENSVGDJEXPEMS-UHFFFAOYSA-N4-[(diisobutylamino)methyl]-N-(3-{methyl[2-(4-pyridinyl)ethyl]amino}propyl)-1,2-benzenediamine

Database identifiers

PubChem CID
69028166

Properties

Computed structural properties

XLogP
5
Topological polar surface area
57.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
14
Heavy atoms
31

Related reactions

4 records
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Compound notes

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