ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine

C9H23N3O — CID 142390319

IUPACethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine
SMILESCC.CN1CCN(CCON)CC1
InChIInChI=1S/C7H17N3O.C2H6/c1-9-2-4-10(5-3-9)6-7-11-8;1-2/h2-8H2,1H3;1-2H3
InChIKeyJNDQHUCFJNZFSF-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.15
Rot. Bonds3

About ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine

ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine (PubChem CID 142390319) has the molecular formula C9H23N3O and a molecular weight of 189.30 g/mol. Its IUPAC name is ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine.

Molecular Properties

Compound Nameethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine
PubChem CID142390319
Molecular FormulaC9H23N3O
Molecular Weight189.30 g/mol
Exact Mass189.18
IUPAC Nameethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine
SMILESCC.CN1CCN(CCON)CC1
InChIInChI=1S/C7H17N3O.C2H6/c1-9-2-4-10(5-3-9)6-7-11-8;1-2/h2-8H2,1H3;1-2H3
InChIKeyJNDQHUCFJNZFSF-UHFFFAOYSA-N
XLogP0.15
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine
CID 168901441
2-(4-methylpiperazin-1-yl)ethyl hypoiodite
CID 139514479
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
2-[2-(4-methylpiperazin-1-yl)ethoxy]acetamide
CID 142386012
ethane;1-(2-methoxyethyl)-4-methylpiperazine;methylcyclopropane
CID 144800701
1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one
CID 135174637
2-(4-methylpiperazin-1-yl)ethyl N-methylcarbamate
CID 174749311
1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine
CID 122495026
ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
1-methyl-4-(2-oxidooxyperoxyethyl)piperazine
CID 58602956

Frequently Asked Questions

What is the IUPAC name of ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine?
The IUPAC name of ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine (CID 142390319) is ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine.
What is the SMILES notation for ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine?
The canonical SMILES for ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine is CC.CN1CCN(CCON)CC1.
What is the InChIKey of ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine?
The InChIKey is JNDQHUCFJNZFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O.C2H6/c1-9-2-4-10(5-3-9)6-7-11-8;1-2/h2-8H2,1H3;1-2H3.
What are the key properties of ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine?
ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine has a molecular weight of 189.30 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine is sourced from PubChem (CID 142390319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).