4-(4-amino-2,2-dimethylhexan-3-yl)-1-methylpiperazin-2-one

C13H27N3O — CID 64681107

IUPAC4-(4-amino-2,2-dimethylhexan-3-yl)-1-methylpiperazin-2-one
SMILESCCC(N)C(N1CCN(C)C(=O)C1)C(C)(C)C
InChIInChI=1S/C13H27N3O/c1-6-10(14)12(13(2,3)4)16-8-7-15(5)11(17)9-16/h10,12H,6-9,14H2,1-5H3
InChIKeyADOKTYWWTINCFS-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.91
Rot. Bonds3

About 4-(4-amino-2,2-dimethylhexan-3-yl)-1-methylpiperazin-2-one

4-(4-amino-2,2-dimethylhexan-3-yl)-1-methylpiperazin-2-one (PubChem CID 64681107) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-(4-amino-2,2-dimethylhexan-3-yl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-2,2-dimethylhexan-3-yl)-1-methylpiperazin-2-one
PubChem CID64681107
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-(4-amino-2,2-dimethylhexan-3-yl)-1-methylpiperazin-2-one
SMILESCCC(N)C(N1CCN(C)C(=O)C1)C(C)(C)C
InChIInChI=1S/C13H27N3O/c1-6-10(14)12(13(2,3)4)16-8-7-15(5)11(17)9-16/h10,12H,6-9,14H2,1-5H3
InChIKeyADOKTYWWTINCFS-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,2-dimethylhexan-3-yl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(4-amino-2,2-dimethylhexan-3-yl)-1-methylpiperazin-2-one (CID 64681107) is 4-(4-amino-2,2-dimethylhexan-3-yl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-amino-2,2-dimethylhexan-3-yl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(4-amino-2,2-dimethylhexan-3-yl)-1-methylpiperazin-2-one is CCC(N)C(N1CCN(C)C(=O)C1)C(C)(C)C.
What is the InChIKey of 4-(4-amino-2,2-dimethylhexan-3-yl)-1-methylpiperazin-2-one?
The InChIKey is ADOKTYWWTINCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-6-10(14)12(13(2,3)4)16-8-7-15(5)11(17)9-16/h10,12H,6-9,14H2,1-5H3.
What are the key properties of 4-(4-amino-2,2-dimethylhexan-3-yl)-1-methylpiperazin-2-one?
4-(4-amino-2,2-dimethylhexan-3-yl)-1-methylpiperazin-2-one has a molecular weight of 241.38 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,2-dimethylhexan-3-yl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64681107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).