1-(dimethylamino)-2-methylpentan-3-one

C8H17NO — CID 3048729

IUPAC1-(dimethylamino)-2-methylpentan-3-one
SMILESCCC(=O)C(C)CN(C)C
InChIInChI=1S/C8H17NO/c1-5-8(10)7(2)6-9(3)4/h7H,5-6H2,1-4H3
InChIKeyQVWGKOYVOZJNRJ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.16
Rot. Bonds4

About 1-(dimethylamino)-2-methylpentan-3-one

1-(dimethylamino)-2-methylpentan-3-one (PubChem CID 3048729) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methylpentan-3-one.

Molecular Properties

Compound Name1-(dimethylamino)-2-methylpentan-3-one
PubChem CID3048729
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-(dimethylamino)-2-methylpentan-3-one
SMILESCCC(=O)C(C)CN(C)C
InChIInChI=1S/C8H17NO/c1-5-8(10)7(2)6-9(3)4/h7H,5-6H2,1-4H3
InChIKeyQVWGKOYVOZJNRJ-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methylpentan-3-one?
The IUPAC name of 1-(dimethylamino)-2-methylpentan-3-one (CID 3048729) is 1-(dimethylamino)-2-methylpentan-3-one.
What is the SMILES notation for 1-(dimethylamino)-2-methylpentan-3-one?
The canonical SMILES for 1-(dimethylamino)-2-methylpentan-3-one is CCC(=O)C(C)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-2-methylpentan-3-one?
The InChIKey is QVWGKOYVOZJNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-8(10)7(2)6-9(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 1-(dimethylamino)-2-methylpentan-3-one?
1-(dimethylamino)-2-methylpentan-3-one has a molecular weight of 143.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methylpentan-3-one is sourced from PubChem (CID 3048729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).