4-[2-(methylideneamino)oxyethyl]piperazin-1-amine

C7H16N4O — CID 89334966

IUPAC4-[2-(methylideneamino)oxyethyl]piperazin-1-amine
SMILESC=NOCCN1CCN(N)CC1
InChIInChI=1S/C7H16N4O/c1-9-12-7-6-10-2-4-11(8)5-3-10/h1-8H2
InChIKeyUXMJLTHDCUGSEK-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.89
Rot. Bonds4

About 4-[2-(methylideneamino)oxyethyl]piperazin-1-amine

4-[2-(methylideneamino)oxyethyl]piperazin-1-amine (PubChem CID 89334966) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-[2-(methylideneamino)oxyethyl]piperazin-1-amine.

Molecular Properties

Compound Name4-[2-(methylideneamino)oxyethyl]piperazin-1-amine
PubChem CID89334966
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name4-[2-(methylideneamino)oxyethyl]piperazin-1-amine
SMILESC=NOCCN1CCN(N)CC1
InChIInChI=1S/C7H16N4O/c1-9-12-7-6-10-2-4-11(8)5-3-10/h1-8H2
InChIKeyUXMJLTHDCUGSEK-UHFFFAOYSA-N
XLogP-0.89
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-methoxypropyl)piperazin-1-amine
CID 158082524
2-[4-(1-aminopiperidin-4-yl)piperazin-1-yl]ethyl hypoiodite
CID 166946196
1,4-bis(2-ethenoxyethyl)piperazine
CID 71333748
4-ethylpiperazin-1-amine
CID 3015725
1-[2-(aziridin-1-yl)ethyl]aziridine
CID 3009817
[4-(2-methoxyethyl)piperazin-1-yl]methanamine
CID 146312052
2-[(4-aminopiperazin-1-yl)methyl]propane-1,3-diol
CID 123457361
ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine
CID 142390319
2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine
CID 164877002
2-[2-(azepan-1-yl)ethoxy]guanidine;sulfuric acid
CID 90481817
O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine
CID 168901441
methyl (1E)-N-(2-pyrrolidin-1-ylethoxy)methanimidothioate
CID 172981442

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylideneamino)oxyethyl]piperazin-1-amine?
The IUPAC name of 4-[2-(methylideneamino)oxyethyl]piperazin-1-amine (CID 89334966) is 4-[2-(methylideneamino)oxyethyl]piperazin-1-amine.
What is the SMILES notation for 4-[2-(methylideneamino)oxyethyl]piperazin-1-amine?
The canonical SMILES for 4-[2-(methylideneamino)oxyethyl]piperazin-1-amine is C=NOCCN1CCN(N)CC1.
What is the InChIKey of 4-[2-(methylideneamino)oxyethyl]piperazin-1-amine?
The InChIKey is UXMJLTHDCUGSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c1-9-12-7-6-10-2-4-11(8)5-3-10/h1-8H2.
What are the key properties of 4-[2-(methylideneamino)oxyethyl]piperazin-1-amine?
4-[2-(methylideneamino)oxyethyl]piperazin-1-amine has a molecular weight of 172.23 g/mol, XLogP of -0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylideneamino)oxyethyl]piperazin-1-amine is sourced from PubChem (CID 89334966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).