(E)-2-methyl-N-piperazin-1-ylpropan-1-imine

C8H17N3 — CID 139552231

IUPAC(E)-2-methyl-N-piperazin-1-ylpropan-1-imine
SMILESCC(C)/C=N/N1CCNCC1
InChIInChI=1S/C8H17N3/c1-8(2)7-10-11-5-3-9-4-6-11/h7-9H,3-6H2,1-2H3/b10-7+
InChIKeyOPUBHVUGMMQIEK-JXMROGBWSA-N
MW155.24 g/mol
LogP0.53
Rot. Bonds2

About (E)-2-methyl-N-piperazin-1-ylpropan-1-imine

(E)-2-methyl-N-piperazin-1-ylpropan-1-imine (PubChem CID 139552231) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-2-methyl-N-piperazin-1-ylpropan-1-imine.

Molecular Properties

Compound Name(E)-2-methyl-N-piperazin-1-ylpropan-1-imine
PubChem CID139552231
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(E)-2-methyl-N-piperazin-1-ylpropan-1-imine
SMILESCC(C)/C=N/N1CCNCC1
InChIInChI=1S/C8H17N3/c1-8(2)7-10-11-5-3-9-4-6-11/h7-9H,3-6H2,1-2H3/b10-7+
InChIKeyOPUBHVUGMMQIEK-JXMROGBWSA-N
XLogP0.53
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-piperazin-1-ylpropan-1-imine?
The IUPAC name of (E)-2-methyl-N-piperazin-1-ylpropan-1-imine (CID 139552231) is (E)-2-methyl-N-piperazin-1-ylpropan-1-imine.
What is the SMILES notation for (E)-2-methyl-N-piperazin-1-ylpropan-1-imine?
The canonical SMILES for (E)-2-methyl-N-piperazin-1-ylpropan-1-imine is CC(C)/C=N/N1CCNCC1.
What is the InChIKey of (E)-2-methyl-N-piperazin-1-ylpropan-1-imine?
The InChIKey is OPUBHVUGMMQIEK-JXMROGBWSA-N. The full InChI is InChI=1S/C8H17N3/c1-8(2)7-10-11-5-3-9-4-6-11/h7-9H,3-6H2,1-2H3/b10-7+.
What are the key properties of (E)-2-methyl-N-piperazin-1-ylpropan-1-imine?
(E)-2-methyl-N-piperazin-1-ylpropan-1-imine has a molecular weight of 155.24 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-piperazin-1-ylpropan-1-imine is sourced from PubChem (CID 139552231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).