(E)-N-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine

C10H22N3O+ — CID 153348574

IUPAC(E)-N-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine
SMILESCO[N+]1(C)CCN(/N=C/C(C)C)CC1
InChIInChI=1S/C10H22N3O/c1-10(2)9-11-12-5-7-13(3,14-4)8-6-12/h9-10H,5-8H2,1-4H3/q+1/b11-9+
InChIKeyODFLQZNASGTPPZ-PKNBQFBNSA-N
MW200.31 g/mol
LogP0.95
Rot. Bonds3

About (E)-N-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine

(E)-N-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine (PubChem CID 153348574) has the molecular formula C10H22N3O+ and a molecular weight of 200.31 g/mol. Its IUPAC name is (E)-N-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine.

Molecular Properties

Compound Name(E)-N-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine
PubChem CID153348574
Molecular FormulaC10H22N3O+
Molecular Weight200.31 g/mol
Exact Mass200.18
IUPAC Name(E)-N-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine
SMILESCO[N+]1(C)CCN(/N=C/C(C)C)CC1
InChIInChI=1S/C10H22N3O/c1-10(2)9-11-12-5-7-13(3,14-4)8-6-12/h9-10H,5-8H2,1-4H3/q+1/b11-9+
InChIKeyODFLQZNASGTPPZ-PKNBQFBNSA-N
XLogP0.95
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine?
The IUPAC name of (E)-N-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine (CID 153348574) is (E)-N-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine.
What is the SMILES notation for (E)-N-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine?
The canonical SMILES for (E)-N-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine is CO[N+]1(C)CCN(/N=C/C(C)C)CC1.
What is the InChIKey of (E)-N-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine?
The InChIKey is ODFLQZNASGTPPZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H22N3O/c1-10(2)9-11-12-5-7-13(3,14-4)8-6-12/h9-10H,5-8H2,1-4H3/q+1/b11-9+.
What are the key properties of (E)-N-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine?
(E)-N-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine has a molecular weight of 200.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methoxy-4-methylpiperazin-4-ium-1-yl)-2-methylpropan-1-imine is sourced from PubChem (CID 153348574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).