4-amino-4-methylpentan-2-one;ethane

C8H19NO — CID 142087513

IUPAC4-amino-4-methylpentan-2-one;ethane
SMILESCC.CC(=O)CC(C)(C)N
InChIInChI=1S/C6H13NO.C2H6/c1-5(8)4-6(2,3)7;1-2/h4,7H2,1-3H3;1-2H3
InChIKeyXOVOSDAFVHPYOB-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.73
Rot. Bonds2

About 4-amino-4-methylpentan-2-one;ethane

4-amino-4-methylpentan-2-one;ethane (PubChem CID 142087513) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 4-amino-4-methylpentan-2-one;ethane.

Molecular Properties

Compound Name4-amino-4-methylpentan-2-one;ethane
PubChem CID142087513
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name4-amino-4-methylpentan-2-one;ethane
SMILESCC.CC(=O)CC(C)(C)N
InChIInChI=1S/C6H13NO.C2H6/c1-5(8)4-6(2,3)7;1-2/h4,7H2,1-3H3;1-2H3
InChIKeyXOVOSDAFVHPYOB-UHFFFAOYSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-methylpentan-2-one;benzoic acid
CID 174476286
2-amino-2-methyl-4-oxopentanoic acid
CID 22140646
4,4,5,5-tetramethyloctane-2,7-dione
CID 28679
4-amino-5-fluoro-4-methylpentan-2-one
CID 155006438
4-hydroxy-4-methylpentan-2-one
CID 87257073
CID 159178711
CID 159178711
4,4-bis(2-oxopropyl)heptane-2,6-dione
CID 118031605
(4S)-5-bromo-4-hydroxy-4-methylpentan-2-one
CID 155123975
4-hydrazinyl-4-methylpentan-2-one
CID 139439757
2-methyl-4-oxopentan-2-olate
CID 101443169
3-acetyl-3-methylhexane-2,5-dione
CID 12571378
sodium;4-hydroxy-4-methylpentan-2-one;chloride
CID 174855512

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methylpentan-2-one;ethane?
The IUPAC name of 4-amino-4-methylpentan-2-one;ethane (CID 142087513) is 4-amino-4-methylpentan-2-one;ethane.
What is the SMILES notation for 4-amino-4-methylpentan-2-one;ethane?
The canonical SMILES for 4-amino-4-methylpentan-2-one;ethane is CC.CC(=O)CC(C)(C)N.
What is the InChIKey of 4-amino-4-methylpentan-2-one;ethane?
The InChIKey is XOVOSDAFVHPYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2H6/c1-5(8)4-6(2,3)7;1-2/h4,7H2,1-3H3;1-2H3.
What are the key properties of 4-amino-4-methylpentan-2-one;ethane?
4-amino-4-methylpentan-2-one;ethane has a molecular weight of 145.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methylpentan-2-one;ethane is sourced from PubChem (CID 142087513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).