1-(4-propan-2-ylpiperazin-1-yl)ethanimine

C9H19N3 — CID 58326908

IUPAC1-(4-propan-2-ylpiperazin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCN(C(C)C)CC1
InChIInChI=1S/C9H19N3/c1-8(2)11-4-6-12(7-5-11)9(3)10/h8,10H,4-7H2,1-3H3/b10-9+
InChIKeyDDAOAGSNBUKIRM-MDZDMXLPSA-N
MW169.27 g/mol
LogP1.01
Rot. Bonds1

About 1-(4-propan-2-ylpiperazin-1-yl)ethanimine

1-(4-propan-2-ylpiperazin-1-yl)ethanimine (PubChem CID 58326908) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(4-propan-2-ylpiperazin-1-yl)ethanimine.

Molecular Properties

Compound Name1-(4-propan-2-ylpiperazin-1-yl)ethanimine
PubChem CID58326908
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-(4-propan-2-ylpiperazin-1-yl)ethanimine
SMILES[H]/N=C(\C)N1CCN(C(C)C)CC1
InChIInChI=1S/C9H19N3/c1-8(2)11-4-6-12(7-5-11)9(3)10/h8,10H,4-7H2,1-3H3/b10-9+
InChIKeyDDAOAGSNBUKIRM-MDZDMXLPSA-N
XLogP1.01
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.01
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-(4-propan-2-ylpiperazin-1-yl)ethanimine?
The IUPAC name of 1-(4-propan-2-ylpiperazin-1-yl)ethanimine (CID 58326908) is 1-(4-propan-2-ylpiperazin-1-yl)ethanimine.
What is the SMILES notation for 1-(4-propan-2-ylpiperazin-1-yl)ethanimine?
The canonical SMILES for 1-(4-propan-2-ylpiperazin-1-yl)ethanimine is [H]/N=C(\C)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-(4-propan-2-ylpiperazin-1-yl)ethanimine?
The InChIKey is DDAOAGSNBUKIRM-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H19N3/c1-8(2)11-4-6-12(7-5-11)9(3)10/h8,10H,4-7H2,1-3H3/b10-9+.
What are the key properties of 1-(4-propan-2-ylpiperazin-1-yl)ethanimine?
1-(4-propan-2-ylpiperazin-1-yl)ethanimine has a molecular weight of 169.27 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpiperazin-1-yl)ethanimine is sourced from PubChem (CID 58326908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).