2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone

C16H33N3O — CID 103604972

IUPAC2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(C)CCCCCCNCC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H33N3O/c1-15(2)8-6-4-5-7-9-17-14-16(20)19-12-10-18(3)11-13-19/h15,17H,4-14H2,1-3H3
InChIKeyRTFHZUUGLCVWRK-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.96
Rot. Bonds9

About 2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone

2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 103604972) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID103604972
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(C)CCCCCCNCC(=O)N1CCN(C)CC1
InChIInChI=1S/C16H33N3O/c1-15(2)8-6-4-5-7-9-17-14-16(20)19-12-10-18(3)11-13-19/h15,17H,4-14H2,1-3H3
InChIKeyRTFHZUUGLCVWRK-UHFFFAOYSA-N
XLogP1.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(azepan-1-yl)-2-(5-methylhexylamino)ethanone
CID 113287464
2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 62273146
1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone
CID 54934696
2-(7-methyloctylamino)-N-propan-2-ylacetamide
CID 103604939
2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 28580194
2-(5-methylhexylamino)acetamide
CID 115325450
2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79281462
2-(5-methylhexylamino)-N-propylacetamide
CID 115325791
2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 115325811
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
4-(methylamino)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 60840946

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone (CID 103604972) is 2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone is CC(C)CCCCCCNCC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is RTFHZUUGLCVWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-15(2)8-6-4-5-7-9-17-14-16(20)19-12-10-18(3)11-13-19/h15,17H,4-14H2,1-3H3.
What are the key properties of 2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone?
2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 283.46 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 103604972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).