2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide

C7H18Br2N2O — CID 175902807

IUPAC2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide
SMILESBr.Br.CC(C)(N)C(=O)C(C)(C)N
InChIInChI=1S/C7H16N2O.2BrH/c1-6(2,8)5(10)7(3,4)9;;/h8-9H2,1-4H3;2*1H
InChIKeyVXGOECRYOVYRSO-UHFFFAOYSA-N
MW306.04 g/mol
LogP1.19
Rot. Bonds2

About 2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide

2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide (PubChem CID 175902807) has the molecular formula C7H18Br2N2O and a molecular weight of 306.04 g/mol. Its IUPAC name is 2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide.

Molecular Properties

Compound Name2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide
PubChem CID175902807
Molecular FormulaC7H18Br2N2O
Molecular Weight306.04 g/mol
Exact Mass303.98
IUPAC Name2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide
SMILESBr.Br.CC(C)(N)C(=O)C(C)(C)N
InChIInChI=1S/C7H16N2O.2BrH/c1-6(2,8)5(10)7(3,4)9;;/h8-9H2,1-4H3;2*1H
InChIKeyVXGOECRYOVYRSO-UHFFFAOYSA-N
XLogP1.19
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.04
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide 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

2-amino-2,4,4-trimethylpentan-3-one;methane
CID 170638842
2-amino-2-methylpropanamide;dihydrochloride
CID 142633616
3-amino-3-methylbutan-2-one
CID 4913006
2-amino-2-methylpropanethioic S-acid;hydrochloride
CID 135147542
3-amino-2,2,3-trimethylbutanamide
CID 65264733
2-aminopropan-2-yl 2-amino-2-methylpropanoate
CID 163435102
2-amino-2-methylpropanehydrazide
CID 63991611
2-(15N)azanyl-2-methylbutanamide
CID 10844374
(2S)-2-amino-2,3-dimethylbutanamide
CID 10154071
(1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane
CID 143623882
2-chloro-2-methylpropanamide;hydrochloride
CID 141117317
cyclobutane;2,2-dimethylpropanamide
CID 145147245

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide?
The IUPAC name of 2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide (CID 175902807) is 2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide.
What is the SMILES notation for 2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide?
The canonical SMILES for 2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide is Br.Br.CC(C)(N)C(=O)C(C)(C)N.
What is the InChIKey of 2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide?
The InChIKey is VXGOECRYOVYRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.2BrH/c1-6(2,8)5(10)7(3,4)9;;/h8-9H2,1-4H3;2*1H.
What are the key properties of 2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide?
2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide has a molecular weight of 306.04 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-2,4-dimethylpentan-3-one;dihydrobromide is sourced from PubChem (CID 175902807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).