6-amino-2,2,4,4,5,5-hexamethylhexan-3-one

C12H25NO — CID 138710397

IUPAC6-amino-2,2,4,4,5,5-hexamethylhexan-3-one
SMILESCC(C)(C)C(=O)C(C)(C)C(C)(C)CN
InChIInChI=1S/C12H25NO/c1-10(2,3)9(14)12(6,7)11(4,5)8-13/h8,13H2,1-7H3
InChIKeyHCPIQIGIJXZENU-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.61
Rot. Bonds3

About 6-amino-2,2,4,4,5,5-hexamethylhexan-3-one

6-amino-2,2,4,4,5,5-hexamethylhexan-3-one (PubChem CID 138710397) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 6-amino-2,2,4,4,5,5-hexamethylhexan-3-one.

Molecular Properties

Compound Name6-amino-2,2,4,4,5,5-hexamethylhexan-3-one
PubChem CID138710397
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name6-amino-2,2,4,4,5,5-hexamethylhexan-3-one
SMILESCC(C)(C)C(=O)C(C)(C)C(C)(C)CN
InChIInChI=1S/C12H25NO/c1-10(2,3)9(14)12(6,7)11(4,5)8-13/h8,13H2,1-7H3
InChIKeyHCPIQIGIJXZENU-UHFFFAOYSA-N
XLogP2.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2,2,4,4,5,5-hexamethylhexan-3-one?
The IUPAC name of 6-amino-2,2,4,4,5,5-hexamethylhexan-3-one (CID 138710397) is 6-amino-2,2,4,4,5,5-hexamethylhexan-3-one.
What is the SMILES notation for 6-amino-2,2,4,4,5,5-hexamethylhexan-3-one?
The canonical SMILES for 6-amino-2,2,4,4,5,5-hexamethylhexan-3-one is CC(C)(C)C(=O)C(C)(C)C(C)(C)CN.
What is the InChIKey of 6-amino-2,2,4,4,5,5-hexamethylhexan-3-one?
The InChIKey is HCPIQIGIJXZENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2,3)9(14)12(6,7)11(4,5)8-13/h8,13H2,1-7H3.
What are the key properties of 6-amino-2,2,4,4,5,5-hexamethylhexan-3-one?
6-amino-2,2,4,4,5,5-hexamethylhexan-3-one has a molecular weight of 199.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,2,4,4,5,5-hexamethylhexan-3-one is sourced from PubChem (CID 138710397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).