1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one

C15H32N2O2 — CID 114228961

IUPAC1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one
SMILESCOC(C)(C)C(=O)CCN(CCN(C)C)CC(C)C
InChIInChI=1S/C15H32N2O2/c1-13(2)12-17(11-10-16(5)6)9-8-14(18)15(3,4)19-7/h13H,8-12H2,1-7H3
InChIKeyARYFSOCQOBHYHW-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.89
Rot. Bonds10

About 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one

1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one (PubChem CID 114228961) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one
PubChem CID114228961
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one
SMILESCOC(C)(C)C(=O)CCN(CCN(C)C)CC(C)C
InChIInChI=1S/C15H32N2O2/c1-13(2)12-17(11-10-16(5)6)9-8-14(18)15(3,4)19-7/h13H,8-12H2,1-7H3
InChIKeyARYFSOCQOBHYHW-UHFFFAOYSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one (CID 114228961) is 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one is COC(C)(C)C(=O)CCN(CCN(C)C)CC(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one?
The InChIKey is ARYFSOCQOBHYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-13(2)12-17(11-10-16(5)6)9-8-14(18)15(3,4)19-7/h13H,8-12H2,1-7H3.
What are the key properties of 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one?
1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one has a molecular weight of 272.43 g/mol, XLogP of 1.89, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-methoxy-4-methylpentan-3-one is sourced from PubChem (CID 114228961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).