2,2-dimethyl-1-piperazin-1-ylpropan-1-imine

C9H19N3 — CID 167211263

IUPAC2,2-dimethyl-1-piperazin-1-ylpropan-1-imine
SMILES[H]/N=C(\N1CCNCC1)C(C)(C)C
InChIInChI=1S/C9H19N3/c1-9(2,3)8(10)12-6-4-11-5-7-12/h10-11H,4-7H2,1-3H3/b10-8-
InChIKeyJXDGEIVSTMFDST-NTMALXAHSA-N
MW169.27 g/mol
LogP0.91
Rot. Bonds

About 2,2-dimethyl-1-piperazin-1-ylpropan-1-imine

2,2-dimethyl-1-piperazin-1-ylpropan-1-imine (PubChem CID 167211263) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,2-dimethyl-1-piperazin-1-ylpropan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-1-piperazin-1-ylpropan-1-imine
PubChem CID167211263
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2,2-dimethyl-1-piperazin-1-ylpropan-1-imine
SMILES[H]/N=C(\N1CCNCC1)C(C)(C)C
InChIInChI=1S/C9H19N3/c1-9(2,3)8(10)12-6-4-11-5-7-12/h10-11H,4-7H2,1-3H3/b10-8-
InChIKeyJXDGEIVSTMFDST-NTMALXAHSA-N
XLogP0.91
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
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 2,2-dimethyl-1-piperazin-1-ylpropan-1-imine?
The IUPAC name of 2,2-dimethyl-1-piperazin-1-ylpropan-1-imine (CID 167211263) is 2,2-dimethyl-1-piperazin-1-ylpropan-1-imine.
What is the SMILES notation for 2,2-dimethyl-1-piperazin-1-ylpropan-1-imine?
The canonical SMILES for 2,2-dimethyl-1-piperazin-1-ylpropan-1-imine is [H]/N=C(\N1CCNCC1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-piperazin-1-ylpropan-1-imine?
The InChIKey is JXDGEIVSTMFDST-NTMALXAHSA-N. The full InChI is InChI=1S/C9H19N3/c1-9(2,3)8(10)12-6-4-11-5-7-12/h10-11H,4-7H2,1-3H3/b10-8-.
What are the key properties of 2,2-dimethyl-1-piperazin-1-ylpropan-1-imine?
2,2-dimethyl-1-piperazin-1-ylpropan-1-imine has a molecular weight of 169.27 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-piperazin-1-ylpropan-1-imine is sourced from PubChem (CID 167211263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).