3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one

C12H26N2O — CID 89032849

IUPAC3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one
SMILESCCN(CC)CNC(C(C)=O)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-7-14(8-2)9-13-11(10(3)15)12(4,5)6/h11,13H,7-9H2,1-6H3
InChIKeyGPEVVMSRJLHXGQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.88
Rot. Bonds6

About 3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one

3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one (PubChem CID 89032849) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one
PubChem CID89032849
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one
SMILESCCN(CC)CNC(C(C)=O)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-7-14(8-2)9-13-11(10(3)15)12(4,5)6/h11,13H,7-9H2,1-6H3
InChIKeyGPEVVMSRJLHXGQ-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one?
The IUPAC name of 3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one (CID 89032849) is 3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one.
What is the SMILES notation for 3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one?
The canonical SMILES for 3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one is CCN(CC)CNC(C(C)=O)C(C)(C)C.
What is the InChIKey of 3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one?
The InChIKey is GPEVVMSRJLHXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-7-14(8-2)9-13-11(10(3)15)12(4,5)6/h11,13H,7-9H2,1-6H3.
What are the key properties of 3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one?
3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one has a molecular weight of 214.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethylamino)-4,4-dimethylpentan-2-one is sourced from PubChem (CID 89032849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).