3-(diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one

C11H21N5O — CID 107047207

IUPAC3-(diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCCN(CC)C(C)(C)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C11H21N5O/c1-6-16(7-2)11(3,4)9(17)8-10-12-14-15(5)13-10/h6-8H2,1-5H3
InChIKeyKCENFODHORDTGO-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.44
Rot. Bonds6

About 3-(diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one

3-(diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one (PubChem CID 107047207) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one.

Molecular Properties

Compound Name3-(diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
PubChem CID107047207
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name3-(diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCCN(CC)C(C)(C)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C11H21N5O/c1-6-16(7-2)11(3,4)9(17)8-10-12-14-15(5)13-10/h6-8H2,1-5H3
InChIKeyKCENFODHORDTGO-UHFFFAOYSA-N
XLogP0.44
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one?
The IUPAC name of 3-(diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one (CID 107047207) is 3-(diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one.
What is the SMILES notation for 3-(diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one?
The canonical SMILES for 3-(diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one is CCN(CC)C(C)(C)C(=O)Cc1nnn(C)n1.
What is the InChIKey of 3-(diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one?
The InChIKey is KCENFODHORDTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-6-16(7-2)11(3,4)9(17)8-10-12-14-15(5)13-10/h6-8H2,1-5H3.
What are the key properties of 3-(diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one?
3-(diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one has a molecular weight of 239.32 g/mol, XLogP of 0.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one is sourced from PubChem (CID 107047207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).