1-[bis(2-methoxyethyl)amino]-3,3-dimethylbutan-2-one

C12H25NO3 — CID 60649748

IUPAC1-[bis(2-methoxyethyl)amino]-3,3-dimethylbutan-2-one
SMILESCOCCN(CCOC)CC(=O)C(C)(C)C
InChIInChI=1S/C12H25NO3/c1-12(2,3)11(14)10-13(6-8-15-4)7-9-16-5/h6-10H2,1-5H3
InChIKeyISKFJEMFHCOHIW-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.20
Rot. Bonds8

About 1-[bis(2-methoxyethyl)amino]-3,3-dimethylbutan-2-one

1-[bis(2-methoxyethyl)amino]-3,3-dimethylbutan-2-one (PubChem CID 60649748) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[bis(2-methoxyethyl)amino]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[bis(2-methoxyethyl)amino]-3,3-dimethylbutan-2-one
PubChem CID60649748
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-[bis(2-methoxyethyl)amino]-3,3-dimethylbutan-2-one
SMILESCOCCN(CCOC)CC(=O)C(C)(C)C
InChIInChI=1S/C12H25NO3/c1-12(2,3)11(14)10-13(6-8-15-4)7-9-16-5/h6-10H2,1-5H3
InChIKeyISKFJEMFHCOHIW-UHFFFAOYSA-N
XLogP1.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methoxyethyl)amino]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[bis(2-methoxyethyl)amino]-3,3-dimethylbutan-2-one (CID 60649748) is 1-[bis(2-methoxyethyl)amino]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[bis(2-methoxyethyl)amino]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[bis(2-methoxyethyl)amino]-3,3-dimethylbutan-2-one is COCCN(CCOC)CC(=O)C(C)(C)C.
What is the InChIKey of 1-[bis(2-methoxyethyl)amino]-3,3-dimethylbutan-2-one?
The InChIKey is ISKFJEMFHCOHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-12(2,3)11(14)10-13(6-8-15-4)7-9-16-5/h6-10H2,1-5H3.
What are the key properties of 1-[bis(2-methoxyethyl)amino]-3,3-dimethylbutan-2-one?
1-[bis(2-methoxyethyl)amino]-3,3-dimethylbutan-2-one has a molecular weight of 231.34 g/mol, XLogP of 1.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methoxyethyl)amino]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 60649748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).