ethane;4-(oxetan-3-yl)piperazin-1-amine

C9H21N3O — CID 156824801

IUPACethane;4-(oxetan-3-yl)piperazin-1-amine
SMILESCC.NN1CCN(C2COC2)CC1
InChIInChI=1S/C7H15N3O.C2H6/c8-10-3-1-9(2-4-10)7-5-11-6-7;1-2/h7H,1-6,8H2;1-2H3
InChIKeyAESCXQAJFWLSSZ-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.10
Rot. Bonds1

About ethane;4-(oxetan-3-yl)piperazin-1-amine

ethane;4-(oxetan-3-yl)piperazin-1-amine (PubChem CID 156824801) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is ethane;4-(oxetan-3-yl)piperazin-1-amine.

Molecular Properties

Compound Nameethane;4-(oxetan-3-yl)piperazin-1-amine
PubChem CID156824801
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Nameethane;4-(oxetan-3-yl)piperazin-1-amine
SMILESCC.NN1CCN(C2COC2)CC1
InChIInChI=1S/C7H15N3O.C2H6/c8-10-3-1-9(2-4-10)7-5-11-6-7;1-2/h7H,1-6,8H2;1-2H3
InChIKeyAESCXQAJFWLSSZ-UHFFFAOYSA-N
XLogP-0.10
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1-(oxetan-3-yl)-4-propan-2-ylpiperazin-1-ium
CID 58286636
1-(Oxetan-3-yl)-4-propan-2-ylpiperazine
CID 58450896
4-(2-Ethoxyethyl)piperazin-1-amine
CID 58861615
1-Ethyl-4-(oxetan-3-yl)piperazine
CID 68104170
4-(2-Methoxyethyl)piperazin-1-amine
CID 68553076
1-Methyl-4-(oxetan-3-yl)piperazine
CID 89116379
1-(Oxetan-3-yl)-4-propylpiperazine
CID 121478395
1-Butan-2-yl-2-methyl-4-(oxetan-3-yl)piperazine
CID 123395276
4-(Oxetan-3-yl)piperazin-1-amine
CID 123779615
1,1-Dimethyl-4-(oxetan-3-yl)piperazin-1-ium
CID 123791277
4-(2-Methoxyethyl)-3-methylpiperazin-1-amine
CID 135137829
1-Butan-2-yl-4-(oxetan-3-yl)piperazine
CID 138525302

Frequently Asked Questions

What is the IUPAC name of ethane;4-(oxetan-3-yl)piperazin-1-amine?
The IUPAC name of ethane;4-(oxetan-3-yl)piperazin-1-amine (CID 156824801) is ethane;4-(oxetan-3-yl)piperazin-1-amine.
What is the SMILES notation for ethane;4-(oxetan-3-yl)piperazin-1-amine?
The canonical SMILES for ethane;4-(oxetan-3-yl)piperazin-1-amine is CC.NN1CCN(C2COC2)CC1.
What is the InChIKey of ethane;4-(oxetan-3-yl)piperazin-1-amine?
The InChIKey is AESCXQAJFWLSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O.C2H6/c8-10-3-1-9(2-4-10)7-5-11-6-7;1-2/h7H,1-6,8H2;1-2H3.
What are the key properties of ethane;4-(oxetan-3-yl)piperazin-1-amine?
ethane;4-(oxetan-3-yl)piperazin-1-amine has a molecular weight of 187.29 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(oxetan-3-yl)piperazin-1-amine is sourced from PubChem (CID 156824801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).