4-[2-[(2,2-dimethyl-3-oxobutyl)-methylamino]ethyl-methylamino]-3,3-dimethylbutan-2-one

C16H32N2O2 — CID 71325645

IUPAC4-[2-[(2,2-dimethyl-3-oxobutyl)-methylamino]ethyl-methylamino]-3,3-dimethylbutan-2-one
SMILESCC(=O)C(C)(C)CN(C)CCN(C)CC(C)(C)C(C)=O
InChIInChI=1S/C16H32N2O2/c1-13(19)15(3,4)11-17(7)9-10-18(8)12-16(5,6)14(2)20/h9-12H2,1-8H3
InChIKeyJAGUVWMWJHQFEH-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.08
Rot. Bonds9

About 4-[2-[(2,2-dimethyl-3-oxobutyl)-methylamino]ethyl-methylamino]-3,3-dimethylbutan-2-one

4-[2-[(2,2-dimethyl-3-oxobutyl)-methylamino]ethyl-methylamino]-3,3-dimethylbutan-2-one (PubChem CID 71325645) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-[2-[(2,2-dimethyl-3-oxobutyl)-methylamino]ethyl-methylamino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name4-[2-[(2,2-dimethyl-3-oxobutyl)-methylamino]ethyl-methylamino]-3,3-dimethylbutan-2-one
PubChem CID71325645
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-[2-[(2,2-dimethyl-3-oxobutyl)-methylamino]ethyl-methylamino]-3,3-dimethylbutan-2-one
SMILESCC(=O)C(C)(C)CN(C)CCN(C)CC(C)(C)C(C)=O
InChIInChI=1S/C16H32N2O2/c1-13(19)15(3,4)11-17(7)9-10-18(8)12-16(5,6)14(2)20/h9-12H2,1-8H3
InChIKeyJAGUVWMWJHQFEH-UHFFFAOYSA-N
XLogP2.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,2-dimethyl-3-oxobutyl)-methylamino]ethyl-methylamino]-3,3-dimethylbutan-2-one?
The IUPAC name of 4-[2-[(2,2-dimethyl-3-oxobutyl)-methylamino]ethyl-methylamino]-3,3-dimethylbutan-2-one (CID 71325645) is 4-[2-[(2,2-dimethyl-3-oxobutyl)-methylamino]ethyl-methylamino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 4-[2-[(2,2-dimethyl-3-oxobutyl)-methylamino]ethyl-methylamino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 4-[2-[(2,2-dimethyl-3-oxobutyl)-methylamino]ethyl-methylamino]-3,3-dimethylbutan-2-one is CC(=O)C(C)(C)CN(C)CCN(C)CC(C)(C)C(C)=O.
What is the InChIKey of 4-[2-[(2,2-dimethyl-3-oxobutyl)-methylamino]ethyl-methylamino]-3,3-dimethylbutan-2-one?
The InChIKey is JAGUVWMWJHQFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(19)15(3,4)11-17(7)9-10-18(8)12-16(5,6)14(2)20/h9-12H2,1-8H3.
What are the key properties of 4-[2-[(2,2-dimethyl-3-oxobutyl)-methylamino]ethyl-methylamino]-3,3-dimethylbutan-2-one?
4-[2-[(2,2-dimethyl-3-oxobutyl)-methylamino]ethyl-methylamino]-3,3-dimethylbutan-2-one has a molecular weight of 284.44 g/mol, XLogP of 2.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,2-dimethyl-3-oxobutyl)-methylamino]ethyl-methylamino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 71325645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).