5-amino-4,4-dimethylpentan-2-one

C7H15NO — CID 57114917

IUPAC5-amino-4,4-dimethylpentan-2-one
SMILESCC(=O)CC(C)(C)CN
InChIInChI=1S/C7H15NO/c1-6(9)4-7(2,3)5-8/h4-5,8H2,1-3H3
InChIKeyBVODYCWBVMANNM-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.95
Rot. Bonds3

About 5-amino-4,4-dimethylpentan-2-one

5-amino-4,4-dimethylpentan-2-one (PubChem CID 57114917) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 5-amino-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name5-amino-4,4-dimethylpentan-2-one
PubChem CID57114917
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name5-amino-4,4-dimethylpentan-2-one
SMILESCC(=O)CC(C)(C)CN
InChIInChI=1S/C7H15NO/c1-6(9)4-7(2,3)5-8/h4-5,8H2,1-3H3
InChIKeyBVODYCWBVMANNM-UHFFFAOYSA-N
XLogP0.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4,4-dimethylpentan-2-one?
The IUPAC name of 5-amino-4,4-dimethylpentan-2-one (CID 57114917) is 5-amino-4,4-dimethylpentan-2-one.
What is the SMILES notation for 5-amino-4,4-dimethylpentan-2-one?
The canonical SMILES for 5-amino-4,4-dimethylpentan-2-one is CC(=O)CC(C)(C)CN.
What is the InChIKey of 5-amino-4,4-dimethylpentan-2-one?
The InChIKey is BVODYCWBVMANNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(9)4-7(2,3)5-8/h4-5,8H2,1-3H3.
What are the key properties of 5-amino-4,4-dimethylpentan-2-one?
5-amino-4,4-dimethylpentan-2-one has a molecular weight of 129.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,4-dimethylpentan-2-one is sourced from PubChem (CID 57114917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).