ethane;N,N,2-trimethylbutanediamide

C9H20N2O2 — CID 142139415

IUPACethane;N,N,2-trimethylbutanediamide
SMILESCC.CC(CC(N)=O)C(=O)N(C)C
InChIInChI=1S/C7H14N2O2.C2H6/c1-5(4-6(8)10)7(11)9(2)3;1-2/h5H,4H2,1-3H3,(H2,8,10);1-2H3
InChIKeyPWSLSFVILYWLDC-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.61
Rot. Bonds3

About ethane;N,N,2-trimethylbutanediamide

ethane;N,N,2-trimethylbutanediamide (PubChem CID 142139415) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethane;N,N,2-trimethylbutanediamide.

Molecular Properties

Compound Nameethane;N,N,2-trimethylbutanediamide
PubChem CID142139415
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Nameethane;N,N,2-trimethylbutanediamide
SMILESCC.CC(CC(N)=O)C(=O)N(C)C
InChIInChI=1S/C7H14N2O2.C2H6/c1-5(4-6(8)10)7(11)9(2)3;1-2/h5H,4H2,1-3H3,(H2,8,10);1-2H3
InChIKeyPWSLSFVILYWLDC-UHFFFAOYSA-N
XLogP0.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N,N,2-trimethylbutanediamide?
The IUPAC name of ethane;N,N,2-trimethylbutanediamide (CID 142139415) is ethane;N,N,2-trimethylbutanediamide.
What is the SMILES notation for ethane;N,N,2-trimethylbutanediamide?
The canonical SMILES for ethane;N,N,2-trimethylbutanediamide is CC.CC(CC(N)=O)C(=O)N(C)C.
What is the InChIKey of ethane;N,N,2-trimethylbutanediamide?
The InChIKey is PWSLSFVILYWLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.C2H6/c1-5(4-6(8)10)7(11)9(2)3;1-2/h5H,4H2,1-3H3,(H2,8,10);1-2H3.
What are the key properties of ethane;N,N,2-trimethylbutanediamide?
ethane;N,N,2-trimethylbutanediamide has a molecular weight of 188.27 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,2-trimethylbutanediamide is sourced from PubChem (CID 142139415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).