4-amino-4-methyloctan-3-one

C9H19NO — CID 158308473

IUPAC4-amino-4-methyloctan-3-one
SMILESCCCCC(C)(N)C(=O)CC
InChIInChI=1S/C9H19NO/c1-4-6-7-9(3,10)8(11)5-2/h4-7,10H2,1-3H3
InChIKeyGNJSWFFNJPQRAE-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.87
Rot. Bonds5

About 4-amino-4-methyloctan-3-one

4-amino-4-methyloctan-3-one (PubChem CID 158308473) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-amino-4-methyloctan-3-one.

Molecular Properties

Compound Name4-amino-4-methyloctan-3-one
PubChem CID158308473
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-amino-4-methyloctan-3-one
SMILESCCCCC(C)(N)C(=O)CC
InChIInChI=1S/C9H19NO/c1-4-6-7-9(3,10)8(11)5-2/h4-7,10H2,1-3H3
InChIKeyGNJSWFFNJPQRAE-UHFFFAOYSA-N
XLogP1.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
3-amino-3-methylnonan-4-one
CID 116590428
2-amino-2-methyltetradecanamide
CID 175155192
iodomethyl 2-amino-2-methylhexanoate
CID 155453624
3-amino-3-methylhexadecan-4-one
CID 116590430
2-amino-2-methylpentadecan-3-one
CID 116560229
2-amino-2-methyloctadecan-3-one
CID 175961283
(4S)-4-amino-4,6-dimethylheptan-3-one
CID 138509881
ethyl (2R)-2-amino-2-methyltridecanoate
CID 125497893
3-amino-3-butylheptan-2-one
CID 59925813
3-amino-3-methylheptanoic acid
CID 53262232
5,5-dimethyltridecan-6-one
CID 19931387

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methyloctan-3-one?
The IUPAC name of 4-amino-4-methyloctan-3-one (CID 158308473) is 4-amino-4-methyloctan-3-one.
What is the SMILES notation for 4-amino-4-methyloctan-3-one?
The canonical SMILES for 4-amino-4-methyloctan-3-one is CCCCC(C)(N)C(=O)CC.
What is the InChIKey of 4-amino-4-methyloctan-3-one?
The InChIKey is GNJSWFFNJPQRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-6-7-9(3,10)8(11)5-2/h4-7,10H2,1-3H3.
What are the key properties of 4-amino-4-methyloctan-3-one?
4-amino-4-methyloctan-3-one has a molecular weight of 157.26 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methyloctan-3-one is sourced from PubChem (CID 158308473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).