1-piperazin-1-yl-N-propan-2-ylpropan-1-imine

C10H21N3 — CID 67208025

IUPAC1-piperazin-1-yl-N-propan-2-ylpropan-1-imine
SMILESCC/C(=N\C(C)C)N1CCNCC1
InChIInChI=1S/C10H21N3/c1-4-10(12-9(2)3)13-7-5-11-6-8-13/h9,11H,4-8H2,1-3H3/b12-10+
InChIKeyDKXLVQRJBSHJHP-ZRDIBKRKSA-N
MW183.30 g/mol
LogP1.11
Rot. Bonds2

About 1-piperazin-1-yl-N-propan-2-ylpropan-1-imine

1-piperazin-1-yl-N-propan-2-ylpropan-1-imine (PubChem CID 67208025) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-piperazin-1-yl-N-propan-2-ylpropan-1-imine.

Molecular Properties

Compound Name1-piperazin-1-yl-N-propan-2-ylpropan-1-imine
PubChem CID67208025
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-piperazin-1-yl-N-propan-2-ylpropan-1-imine
SMILESCC/C(=N\C(C)C)N1CCNCC1
InChIInChI=1S/C10H21N3/c1-4-10(12-9(2)3)13-7-5-11-6-8-13/h9,11H,4-8H2,1-3H3/b12-10+
InChIKeyDKXLVQRJBSHJHP-ZRDIBKRKSA-N
XLogP1.11
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.11
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 1-piperazin-1-yl-N-propan-2-ylpropan-1-imine?
The IUPAC name of 1-piperazin-1-yl-N-propan-2-ylpropan-1-imine (CID 67208025) is 1-piperazin-1-yl-N-propan-2-ylpropan-1-imine.
What is the SMILES notation for 1-piperazin-1-yl-N-propan-2-ylpropan-1-imine?
The canonical SMILES for 1-piperazin-1-yl-N-propan-2-ylpropan-1-imine is CC/C(=N\C(C)C)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-N-propan-2-ylpropan-1-imine?
The InChIKey is DKXLVQRJBSHJHP-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-10(12-9(2)3)13-7-5-11-6-8-13/h9,11H,4-8H2,1-3H3/b12-10+.
What are the key properties of 1-piperazin-1-yl-N-propan-2-ylpropan-1-imine?
1-piperazin-1-yl-N-propan-2-ylpropan-1-imine has a molecular weight of 183.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-N-propan-2-ylpropan-1-imine is sourced from PubChem (CID 67208025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).