2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione

C14H27NO2 — CID 167423974

IUPAC2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione
SMILESCNC(CCC(=O)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C14H27NO2/c1-13(2,3)11(16)9-8-10(15-7)12(17)14(4,5)6/h10,15H,8-9H2,1-7H3
InChIKeyYGEAHBISRSDIKO-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.59
Rot. Bonds5

About 2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione

2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione (PubChem CID 167423974) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione.

Molecular Properties

Compound Name2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione
PubChem CID167423974
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione
SMILESCNC(CCC(=O)C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C14H27NO2/c1-13(2,3)11(16)9-8-10(15-7)12(17)14(4,5)6/h10,15H,8-9H2,1-7H3
InChIKeyYGEAHBISRSDIKO-UHFFFAOYSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione?
The IUPAC name of 2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione (CID 167423974) is 2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione.
What is the SMILES notation for 2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione?
The canonical SMILES for 2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione is CNC(CCC(=O)C(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione?
The InChIKey is YGEAHBISRSDIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2,3)11(16)9-8-10(15-7)12(17)14(4,5)6/h10,15H,8-9H2,1-7H3.
What are the key properties of 2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione?
2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione has a molecular weight of 241.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8,8-tetramethyl-4-(methylamino)nonane-3,7-dione is sourced from PubChem (CID 167423974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).