6-amino-2,2-dimethylhexan-3-one

C8H17NO — CID 21338901

IUPAC6-amino-2,2-dimethylhexan-3-one
SMILESCC(C)(C)C(=O)CCCN
InChIInChI=1S/C8H17NO/c1-8(2,3)7(10)5-4-6-9/h4-6,9H2,1-3H3
InChIKeyWBEOVNUVYQEMPV-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.34
Rot. Bonds3

About 6-amino-2,2-dimethylhexan-3-one

6-amino-2,2-dimethylhexan-3-one (PubChem CID 21338901) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 6-amino-2,2-dimethylhexan-3-one.

Molecular Properties

Compound Name6-amino-2,2-dimethylhexan-3-one
PubChem CID21338901
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name6-amino-2,2-dimethylhexan-3-one
SMILESCC(C)(C)C(=O)CCCN
InChIInChI=1S/C8H17NO/c1-8(2,3)7(10)5-4-6-9/h4-6,9H2,1-3H3
InChIKeyWBEOVNUVYQEMPV-UHFFFAOYSA-N
XLogP1.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2,2-dimethylhexan-3-one?
The IUPAC name of 6-amino-2,2-dimethylhexan-3-one (CID 21338901) is 6-amino-2,2-dimethylhexan-3-one.
What is the SMILES notation for 6-amino-2,2-dimethylhexan-3-one?
The canonical SMILES for 6-amino-2,2-dimethylhexan-3-one is CC(C)(C)C(=O)CCCN.
What is the InChIKey of 6-amino-2,2-dimethylhexan-3-one?
The InChIKey is WBEOVNUVYQEMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2,3)7(10)5-4-6-9/h4-6,9H2,1-3H3.
What are the key properties of 6-amino-2,2-dimethylhexan-3-one?
6-amino-2,2-dimethylhexan-3-one has a molecular weight of 143.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,2-dimethylhexan-3-one is sourced from PubChem (CID 21338901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).