1-(4-ethenylpiperazin-1-yl)-N,3-dimethyl-2-methylidenepentan-1-imine

C14H25N3 — CID 155207248

IUPAC1-(4-ethenylpiperazin-1-yl)-N,3-dimethyl-2-methylidenepentan-1-imine
SMILESC=CN1CCN(/C(=N/C)C(=C)C(C)CC)CC1
InChIInChI=1S/C14H25N3/c1-6-12(3)13(4)14(15-5)17-10-8-16(7-2)9-11-17/h7,12H,2,4,6,8-11H2,1,3,5H3/b15-14+
InChIKeyREIJGJHPRNCLLE-CCEZHUSRSA-N
MW235.37 g/mol
LogP2.38
Rot. Bonds4

About 1-(4-ethenylpiperazin-1-yl)-N,3-dimethyl-2-methylidenepentan-1-imine

1-(4-ethenylpiperazin-1-yl)-N,3-dimethyl-2-methylidenepentan-1-imine (PubChem CID 155207248) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4-ethenylpiperazin-1-yl)-N,3-dimethyl-2-methylidenepentan-1-imine.

Molecular Properties

Compound Name1-(4-ethenylpiperazin-1-yl)-N,3-dimethyl-2-methylidenepentan-1-imine
PubChem CID155207248
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-(4-ethenylpiperazin-1-yl)-N,3-dimethyl-2-methylidenepentan-1-imine
SMILESC=CN1CCN(/C(=N/C)C(=C)C(C)CC)CC1
InChIInChI=1S/C14H25N3/c1-6-12(3)13(4)14(15-5)17-10-8-16(7-2)9-11-17/h7,12H,2,4,6,8-11H2,1,3,5H3/b15-14+
InChIKeyREIJGJHPRNCLLE-CCEZHUSRSA-N
XLogP2.38
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
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-ethenylpiperazin-1-yl)-N,3-dimethyl-2-methylidenepentan-1-imine?
The IUPAC name of 1-(4-ethenylpiperazin-1-yl)-N,3-dimethyl-2-methylidenepentan-1-imine (CID 155207248) is 1-(4-ethenylpiperazin-1-yl)-N,3-dimethyl-2-methylidenepentan-1-imine.
What is the SMILES notation for 1-(4-ethenylpiperazin-1-yl)-N,3-dimethyl-2-methylidenepentan-1-imine?
The canonical SMILES for 1-(4-ethenylpiperazin-1-yl)-N,3-dimethyl-2-methylidenepentan-1-imine is C=CN1CCN(/C(=N/C)C(=C)C(C)CC)CC1.
What is the InChIKey of 1-(4-ethenylpiperazin-1-yl)-N,3-dimethyl-2-methylidenepentan-1-imine?
The InChIKey is REIJGJHPRNCLLE-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H25N3/c1-6-12(3)13(4)14(15-5)17-10-8-16(7-2)9-11-17/h7,12H,2,4,6,8-11H2,1,3,5H3/b15-14+.
What are the key properties of 1-(4-ethenylpiperazin-1-yl)-N,3-dimethyl-2-methylidenepentan-1-imine?
1-(4-ethenylpiperazin-1-yl)-N,3-dimethyl-2-methylidenepentan-1-imine has a molecular weight of 235.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylpiperazin-1-yl)-N,3-dimethyl-2-methylidenepentan-1-imine is sourced from PubChem (CID 155207248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).