2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide

C12H26N4O — CID 80507212

IUPAC2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide
SMILESCN1CCN(CC(=O)NC(C)(C)C)C(CN)C1
InChIInChI=1S/C12H26N4O/c1-12(2,3)14-11(17)9-16-6-5-15(4)8-10(16)7-13/h10H,5-9,13H2,1-4H3,(H,14,17)
InChIKeyCTEOYMYLXUUKPB-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.52
Rot. Bonds3

About 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide (PubChem CID 80507212) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide
PubChem CID80507212
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide
SMILESCN1CCN(CC(=O)NC(C)(C)C)C(CN)C1
InChIInChI=1S/C12H26N4O/c1-12(2,3)14-11(17)9-16-6-5-15(4)8-10(16)7-13/h10H,5-9,13H2,1-4H3,(H,14,17)
InChIKeyCTEOYMYLXUUKPB-UHFFFAOYSA-N
XLogP-0.52
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid
CID 80505933
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 80505960
ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate
CID 80507351
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-benzylacetamide
CID 80507204
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 80507160
methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate
CID 80506811
N-[2-[2-(aminomethyl)-4-methylpiperazin-1-yl]ethyl]acetamide
CID 80507319
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-chlorophenyl)acetamide
CID 80506909
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2,5-dichlorophenyl)acetamide
CID 80506821
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 80505154
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol
CID 114496600
[1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine
CID 80506182

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide (CID 80507212) is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide is CN1CCN(CC(=O)NC(C)(C)C)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide?
The InChIKey is CTEOYMYLXUUKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-12(2,3)14-11(17)9-16-6-5-15(4)8-10(16)7-13/h10H,5-9,13H2,1-4H3,(H,14,17).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide?
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide has a molecular weight of 242.37 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide is sourced from PubChem (CID 80507212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).