2-Amino-4-[[4-[diethylamino]-1-methylbutyl]amino]-3-nitropyridine
Basic information
- CAS
28463-81-2- Standard SMILES
CCN(CC)CCCC(C)Nc1ccnc(N)c1[N+](=O)[O-]- InChIKey
NAIQDDIVDWGPBZ-UHFFFAOYSA-N- Molecular formula
- C14H25N5O2
- Average molar mass
- 295.38 g/mol
- Monoisotopic mass
- 295.20082506
Names & identifiers
- Preferred name
- 2-Amino-4-[[4-[diethylamino]-1-methylbutyl]amino]-3-nitropyridine
- IUPAC
- 4-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,4-diamine
Names & synonyms
NSC13162828463-81-2NAIQDDIVDWGPBZ-UHFFFAOYSA-N2-Amino-4-[[4-[diethylamino]-1-methylbutyl]amino]-3-nitropyridineNSC-131628
Database identifiers
- CAS
28463-81-2- PubChem CID
- 280195
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 306
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Compound notes
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