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

C10H23N3 — CID 153348571

IUPACethane;(E)-2-methyl-N-piperazin-1-ylpropan-1-imine
SMILESCC.CC(C)/C=N/N1CCNCC1
InChIInChI=1S/C8H17N3.C2H6/c1-8(2)7-10-11-5-3-9-4-6-11;1-2/h7-9H,3-6H2,1-2H3;1-2H3/b10-7+;
InChIKeyNSGQPXNYEKPRHI-HCUGZAAXSA-N
MW185.31 g/mol
LogP1.56
Rot. Bonds2

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

ethane;(E)-2-methyl-N-piperazin-1-ylpropan-1-imine (PubChem CID 153348571) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;(E)-2-methyl-N-piperazin-1-ylpropan-1-imine.

Molecular Properties

Compound Nameethane;(E)-2-methyl-N-piperazin-1-ylpropan-1-imine
PubChem CID153348571
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Nameethane;(E)-2-methyl-N-piperazin-1-ylpropan-1-imine
SMILESCC.CC(C)/C=N/N1CCNCC1
InChIInChI=1S/C8H17N3.C2H6/c1-8(2)7-10-11-5-3-9-4-6-11;1-2/h7-9H,3-6H2,1-2H3;1-2H3/b10-7+;
InChIKeyNSGQPXNYEKPRHI-HCUGZAAXSA-N
XLogP1.56
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.56
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 ethane;(E)-2-methyl-N-piperazin-1-ylpropan-1-imine?
The IUPAC name of ethane;(E)-2-methyl-N-piperazin-1-ylpropan-1-imine (CID 153348571) is ethane;(E)-2-methyl-N-piperazin-1-ylpropan-1-imine.
What is the SMILES notation for ethane;(E)-2-methyl-N-piperazin-1-ylpropan-1-imine?
The canonical SMILES for ethane;(E)-2-methyl-N-piperazin-1-ylpropan-1-imine is CC.CC(C)/C=N/N1CCNCC1.
What is the InChIKey of ethane;(E)-2-methyl-N-piperazin-1-ylpropan-1-imine?
The InChIKey is NSGQPXNYEKPRHI-HCUGZAAXSA-N. The full InChI is InChI=1S/C8H17N3.C2H6/c1-8(2)7-10-11-5-3-9-4-6-11;1-2/h7-9H,3-6H2,1-2H3;1-2H3/b10-7+;.
What are the key properties of ethane;(E)-2-methyl-N-piperazin-1-ylpropan-1-imine?
ethane;(E)-2-methyl-N-piperazin-1-ylpropan-1-imine has a molecular weight of 185.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-2-methyl-N-piperazin-1-ylpropan-1-imine is sourced from PubChem (CID 153348571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).