2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione

C15H28N2O2 — CID 153358615

IUPAC2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione
SMILESCC(=O)C(C)(C)C(C)(C)C(=O)N1CCNCC(C)C1
InChIInChI=1S/C15H28N2O2/c1-11-9-16-7-8-17(10-11)13(19)15(5,6)14(3,4)12(2)18/h11,16H,7-10H2,1-6H3
InChIKeyZCBACVQABCYBFU-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.70
Rot. Bonds3

About 2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione

2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione (PubChem CID 153358615) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione
PubChem CID153358615
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione
SMILESCC(=O)C(C)(C)C(C)(C)C(=O)N1CCNCC(C)C1
InChIInChI=1S/C15H28N2O2/c1-11-9-16-7-8-17(10-11)13(19)15(5,6)14(3,4)12(2)18/h11,16H,7-10H2,1-6H3
InChIKeyZCBACVQABCYBFU-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1,4-diazepane-1-carboxylic acid
CID 90022052
1-(6-methyl-1,4-diazepan-1-yl)but-3-yn-1-one
CID 130655199
(6S)-1-tert-butyl-6-methyl-1,4-diazepane
CID 94238222
2-methyl-1-(6-methyl-1,4-diazepan-1-yl)butan-2-ol
CID 130979491
2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 39256559
1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80549868
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
1-ethylsulfinyl-6-methyl-1,4-diazepane
CID 130948915
2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one
CID 83031141
2,2-dimethyl-3-oxo-3-piperazin-1-ylpropanoic acid
CID 82820893
2,2-difluoro-1-piperazin-1-ylpropan-1-one
CID 116840399

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione?
The IUPAC name of 2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione (CID 153358615) is 2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione.
What is the SMILES notation for 2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione?
The canonical SMILES for 2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione is CC(=O)C(C)(C)C(C)(C)C(=O)N1CCNCC(C)C1.
What is the InChIKey of 2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione?
The InChIKey is ZCBACVQABCYBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-9-16-7-8-17(10-11)13(19)15(5,6)14(3,4)12(2)18/h11,16H,7-10H2,1-6H3.
What are the key properties of 2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione?
2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione has a molecular weight of 268.40 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-1-(6-methyl-1,4-diazepan-1-yl)pentane-1,4-dione is sourced from PubChem (CID 153358615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).