4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one

C13H21N3O — CID 116608441

IUPAC4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one
SMILESCC(C)(C)C(N)CC(=O)Cc1cnccc1N
InChIInChI=1S/C13H21N3O/c1-13(2,3)12(15)7-10(17)6-9-8-16-5-4-11(9)14/h4-5,8,12H,6-7,15H2,1-3H3,(H2,14,16)
InChIKeyAEUCORZUWVQVKS-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.54
Rot. Bonds4

About 4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one

4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one (PubChem CID 116608441) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one.

Molecular Properties

Compound Name4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one
PubChem CID116608441
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one
SMILESCC(C)(C)C(N)CC(=O)Cc1cnccc1N
InChIInChI=1S/C13H21N3O/c1-13(2,3)12(15)7-10(17)6-9-8-16-5-4-11(9)14/h4-5,8,12H,6-7,15H2,1-3H3,(H2,14,16)
InChIKeyAEUCORZUWVQVKS-UHFFFAOYSA-N
XLogP1.54
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-(3-chloro-4-pyridinyl)-5,5-dimethylhexan-2-one
CID 116608406
1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one
CID 64759762
1-(4-amino-3-pyridinyl)-3-(propylamino)propan-2-one
CID 116562799
1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588569
1-(4-amino-3-pyridinyl)-3-methylbut-3-en-2-one
CID 103446391
1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one
CID 79617121
1-(4-amino-3-pyridinyl)-4-(2-methoxyethoxy)butan-2-one
CID 102927478
3-amino-1-(4-amino-3-pyridinyl)-3-cyclopropylbutan-2-one
CID 116558468
1-(4-amino-3-pyridinyl)-3-methoxy-3-methylpentan-2-one
CID 116746767
4-amino-1-(2,6-dimethylphenyl)-5,5-dimethylhexan-2-one
CID 116608453
1-(4-amino-3-pyridinyl)-3-ethoxy-3-methylpentan-2-one
CID 116747071
1-(4-amino-3-pyridinyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 79053969

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one?
The IUPAC name of 4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one (CID 116608441) is 4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one.
What is the SMILES notation for 4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one?
The canonical SMILES for 4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one is CC(C)(C)C(N)CC(=O)Cc1cnccc1N.
What is the InChIKey of 4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one?
The InChIKey is AEUCORZUWVQVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)12(15)7-10(17)6-9-8-16-5-4-11(9)14/h4-5,8,12H,6-7,15H2,1-3H3,(H2,14,16).
What are the key properties of 4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one?
4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one is sourced from PubChem (CID 116608441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).