2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one

C9H19N3O — CID 130718849

IUPAC2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one
SMILESCC(N)C(=O)N1C(C)CNCC1C
InChIInChI=1S/C9H19N3O/c1-6-4-11-5-7(2)12(6)9(13)8(3)10/h6-8,11H,4-5,10H2,1-3H3
InChIKeyREVVBUJHTSPWMK-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.46
Rot. Bonds1

About 2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one

2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one (PubChem CID 130718849) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one
PubChem CID130718849
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one
SMILESCC(N)C(=O)N1C(C)CNCC1C
InChIInChI=1S/C9H19N3O/c1-6-4-11-5-7(2)12(6)9(13)8(3)10/h6-8,11H,4-5,10H2,1-3H3
InChIKeyREVVBUJHTSPWMK-UHFFFAOYSA-N
XLogP-0.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one (CID 130718849) is 2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one is CC(N)C(=O)N1C(C)CNCC1C.
What is the InChIKey of 2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one?
The InChIKey is REVVBUJHTSPWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6-4-11-5-7(2)12(6)9(13)8(3)10/h6-8,11H,4-5,10H2,1-3H3.
What are the key properties of 2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one?
2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one has a molecular weight of 185.27 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 130718849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).