ethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine

C10H21N3 — CID 171081334

IUPACethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine
SMILESC=C/C(=N\C)N1CCNCC1.CC
InChIInChI=1S/C8H15N3.C2H6/c1-3-8(9-2)11-6-4-10-5-7-11;1-2/h3,10H,1,4-7H2,2H3;1-2H3/b9-8+;
InChIKeyNIARMKUDHQCREZ-HRNDJLQDSA-N
MW183.30 g/mol
LogP1.13
Rot. Bonds1

About ethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine

ethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine (PubChem CID 171081334) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is ethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine.

Molecular Properties

Compound Nameethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine
PubChem CID171081334
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Nameethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine
SMILESC=C/C(=N\C)N1CCNCC1.CC
InChIInChI=1S/C8H15N3.C2H6/c1-3-8(9-2)11-6-4-10-5-7-11;1-2/h3,10H,1,4-7H2,2H3;1-2H3/b9-8+;
InChIKeyNIARMKUDHQCREZ-HRNDJLQDSA-N
XLogP1.13
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine?
The IUPAC name of ethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine (CID 171081334) is ethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine.
What is the SMILES notation for ethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine?
The canonical SMILES for ethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine is C=C/C(=N\C)N1CCNCC1.CC.
What is the InChIKey of ethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine?
The InChIKey is NIARMKUDHQCREZ-HRNDJLQDSA-N. The full InChI is InChI=1S/C8H15N3.C2H6/c1-3-8(9-2)11-6-4-10-5-7-11;1-2/h3,10H,1,4-7H2,2H3;1-2H3/b9-8+;.
What are the key properties of ethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine?
ethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine has a molecular weight of 183.30 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-piperazin-1-ylprop-2-en-1-imine is sourced from PubChem (CID 171081334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).