3-(diethylamino)-3-methylbutanamide

C9H20N2O — CID 18792212

IUPAC3-(diethylamino)-3-methylbutanamide
SMILESCCN(CC)C(C)(C)CC(N)=O
InChIInChI=1S/C9H20N2O/c1-5-11(6-2)9(3,4)7-8(10)12/h5-7H2,1-4H3,(H2,10,12)
InChIKeyPWWNLLQZGNUYBQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.98
Rot. Bonds5

About 3-(diethylamino)-3-methylbutanamide

3-(diethylamino)-3-methylbutanamide (PubChem CID 18792212) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(diethylamino)-3-methylbutanamide.

Molecular Properties

Compound Name3-(diethylamino)-3-methylbutanamide
PubChem CID18792212
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-(diethylamino)-3-methylbutanamide
SMILESCCN(CC)C(C)(C)CC(N)=O
InChIInChI=1S/C9H20N2O/c1-5-11(6-2)9(3,4)7-8(10)12/h5-7H2,1-4H3,(H2,10,12)
InChIKeyPWWNLLQZGNUYBQ-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-methylbutanamide?
The IUPAC name of 3-(diethylamino)-3-methylbutanamide (CID 18792212) is 3-(diethylamino)-3-methylbutanamide.
What is the SMILES notation for 3-(diethylamino)-3-methylbutanamide?
The canonical SMILES for 3-(diethylamino)-3-methylbutanamide is CCN(CC)C(C)(C)CC(N)=O.
What is the InChIKey of 3-(diethylamino)-3-methylbutanamide?
The InChIKey is PWWNLLQZGNUYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-11(6-2)9(3,4)7-8(10)12/h5-7H2,1-4H3,(H2,10,12).
What are the key properties of 3-(diethylamino)-3-methylbutanamide?
3-(diethylamino)-3-methylbutanamide has a molecular weight of 172.27 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-methylbutanamide is sourced from PubChem (CID 18792212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).