2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone

C10H22N4O — CID 62273146

IUPAC2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNCCCN)CC1
InChIInChI=1S/C10H22N4O/c1-13-5-7-14(8-6-13)10(15)9-12-4-2-3-11/h12H,2-9,11H2,1H3
InChIKeyCXYLONQONGWTPG-UHFFFAOYSA-N
MW214.31 g/mol
LogP-1.30
Rot. Bonds5

About 2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone

2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 62273146) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID62273146
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CNCCCN)CC1
InChIInChI=1S/C10H22N4O/c1-13-5-7-14(8-6-13)10(15)9-12-4-2-3-11/h12H,2-9,11H2,1H3
InChIKeyCXYLONQONGWTPG-UHFFFAOYSA-N
XLogP-1.30
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(7-methyloctylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 103604972
1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone
CID 54934696
2-(2-aminoethylamino)-1-piperidin-1-ylethanone
CID 62140335
2-(2-aminoethylamino)-1-(azepan-1-yl)ethanone
CID 62140336
2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 28580194
1-(4-methylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropylamino)ethanone
CID 106291879
2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79281462
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 127518835
2-[(3-hydroxycyclopentyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106129832
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 63298948
1-(4-methylpiperazin-1-yl)-2-[2-(2-methylpyrazol-3-yl)ethylamino]ethanone
CID 103006184

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone (CID 62273146) is 2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CNCCCN)CC1.
What is the InChIKey of 2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is CXYLONQONGWTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-13-5-7-14(8-6-13)10(15)9-12-4-2-3-11/h12H,2-9,11H2,1H3.
What are the key properties of 2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone?
2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 214.31 g/mol, XLogP of -1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 62273146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).