2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide

C10H22N4O — CID 139421592

IUPAC2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide
SMILESCC1CN(CN)CCN1CC(=O)N(C)C
InChIInChI=1S/C10H22N4O/c1-9-6-13(8-11)4-5-14(9)7-10(15)12(2)3/h9H,4-8,11H2,1-3H3
InChIKeyQIRYYBZYCJDORQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP-1.00
Rot. Bonds3

About 2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide

2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 139421592) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide
PubChem CID139421592
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide
SMILESCC1CN(CN)CCN1CC(=O)N(C)C
InChIInChI=1S/C10H22N4O/c1-9-6-13(8-11)4-5-14(9)7-10(15)12(2)3/h9H,4-8,11H2,1-3H3
InChIKeyQIRYYBZYCJDORQ-UHFFFAOYSA-N
XLogP-1.00
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(2-methylpyrrolidin-1-yl)acetamide
CID 130669974
2-[5-[2-(dimethylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-N,N-dimethylacetamide
CID 122154524
N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide
CID 55627416
2-[2-(aminomethyl)-5-methylmorpholin-4-yl]-N,N-dimethylacetamide
CID 81217721
N,N-dimethyl-2-(4-methylpiperidin-1-yl)acetamide;ethane
CID 145317125
2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
N,N-dimethyl-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 112683880
1-[2-(dimethylamino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786056
2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
CID 166175465
ethyl 4-(4-ethyl-3-methylpiperazin-1-yl)-3-oxobutanoate
CID 63897380
2-(2,5-dimethylpyrrolidin-1-yl)-N,N-dimethylacetamide
CID 126990033
N-cyclopropyl-2-[4-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperazin-1-yl]acetamide
CID 78860681

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide (CID 139421592) is 2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide is CC1CN(CN)CCN1CC(=O)N(C)C.
What is the InChIKey of 2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is QIRYYBZYCJDORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-9-6-13(8-11)4-5-14(9)7-10(15)12(2)3/h9H,4-8,11H2,1-3H3.
What are the key properties of 2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide?
2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 214.31 g/mol, XLogP of -1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 139421592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).