N,4-dimethyl-1-prop-1-en-2-ylpiperazin-2-imine

C9H17N3 — CID 168899872

IUPACN,4-dimethyl-1-prop-1-en-2-ylpiperazin-2-imine
SMILESC=C(C)N1CCN(C)C/C1=N\C
InChIInChI=1S/C9H17N3/c1-8(2)12-6-5-11(4)7-9(12)10-3/h1,5-7H2,2-4H3/b10-9+
InChIKeyWRLNIWIOCRYUBO-MDZDMXLPSA-N
MW167.26 g/mol
LogP0.80
Rot. Bonds1

About N,4-dimethyl-1-prop-1-en-2-ylpiperazin-2-imine

N,4-dimethyl-1-prop-1-en-2-ylpiperazin-2-imine (PubChem CID 168899872) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N,4-dimethyl-1-prop-1-en-2-ylpiperazin-2-imine.

Molecular Properties

Compound NameN,4-dimethyl-1-prop-1-en-2-ylpiperazin-2-imine
PubChem CID168899872
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN,4-dimethyl-1-prop-1-en-2-ylpiperazin-2-imine
SMILESC=C(C)N1CCN(C)C/C1=N\C
InChIInChI=1S/C9H17N3/c1-8(2)12-6-5-11(4)7-9(12)10-3/h1,5-7H2,2-4H3/b10-9+
InChIKeyWRLNIWIOCRYUBO-MDZDMXLPSA-N
XLogP0.80
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N,4-dimethyl-1-prop-1-en-2-ylpiperazin-2-imine?
The IUPAC name of N,4-dimethyl-1-prop-1-en-2-ylpiperazin-2-imine (CID 168899872) is N,4-dimethyl-1-prop-1-en-2-ylpiperazin-2-imine.
What is the SMILES notation for N,4-dimethyl-1-prop-1-en-2-ylpiperazin-2-imine?
The canonical SMILES for N,4-dimethyl-1-prop-1-en-2-ylpiperazin-2-imine is C=C(C)N1CCN(C)C/C1=N\C.
What is the InChIKey of N,4-dimethyl-1-prop-1-en-2-ylpiperazin-2-imine?
The InChIKey is WRLNIWIOCRYUBO-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H17N3/c1-8(2)12-6-5-11(4)7-9(12)10-3/h1,5-7H2,2-4H3/b10-9+.
What are the key properties of N,4-dimethyl-1-prop-1-en-2-ylpiperazin-2-imine?
N,4-dimethyl-1-prop-1-en-2-ylpiperazin-2-imine has a molecular weight of 167.26 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-prop-1-en-2-ylpiperazin-2-imine is sourced from PubChem (CID 168899872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).