3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one

C10H21N3O — CID 63609743

IUPAC3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one
SMILESCC(CN)C(=O)N1CCN(C)C(C)C1
InChIInChI=1S/C10H21N3O/c1-8(6-11)10(14)13-5-4-12(3)9(2)7-13/h8-9H,4-7,11H2,1-3H3
InChIKeyYTEPFRSXQPOULP-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.26
Rot. Bonds2

About 3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one

3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one (PubChem CID 63609743) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one
PubChem CID63609743
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one
SMILESCC(CN)C(=O)N1CCN(C)C(C)C1
InChIInChI=1S/C10H21N3O/c1-8(6-11)10(14)13-5-4-12(3)9(2)7-13/h8-9H,4-7,11H2,1-3H3
InChIKeyYTEPFRSXQPOULP-UHFFFAOYSA-N
XLogP-0.26
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 63609559
(2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
CID 63634392
2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one
CID 154650946
2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-methylpentan-1-one
CID 63634723
3-amino-1-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 79184567
3-amino-2-methyl-1-(6-methyl-1,4-thiazepan-4-yl)propan-1-one
CID 130933624
3-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 106668494
3-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropan-1-one
CID 104958278
4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536787
2-[1-(3-amino-2-methylpropanoyl)piperidin-3-yl]acetic acid
CID 62669859
2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
CID 106592903
3-(3,4-dimethylpiperazin-1-yl)-3-oxo-2-phenylpropanethioamide
CID 63619451

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one (CID 63609743) is 3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one is CC(CN)C(=O)N1CCN(C)C(C)C1.
What is the InChIKey of 3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one?
The InChIKey is YTEPFRSXQPOULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(6-11)10(14)13-5-4-12(3)9(2)7-13/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one?
3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one has a molecular weight of 199.30 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 63609743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).