(4-methylmorpholin-2-yl)-(4-methylpiperazin-1-yl)methanimine

C11H22N4O — CID 79088476

IUPAC(4-methylmorpholin-2-yl)-(4-methylpiperazin-1-yl)methanimine
SMILES[H]/N=C(/C1CN(C)CCO1)N1CCN(C)CC1
InChIInChI=1S/C11H22N4O/c1-13-3-5-15(6-4-13)11(12)10-9-14(2)7-8-16-10/h10,12H,3-9H2,1-2H3/b12-11-
InChIKeyGEEQXZNJJADKML-QXMHVHEDSA-N
MW226.32 g/mol
LogP-0.46
Rot. Bonds1

About (4-methylmorpholin-2-yl)-(4-methylpiperazin-1-yl)methanimine

(4-methylmorpholin-2-yl)-(4-methylpiperazin-1-yl)methanimine (PubChem CID 79088476) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl)-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl)-(4-methylpiperazin-1-yl)methanimine
PubChem CID79088476
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name(4-methylmorpholin-2-yl)-(4-methylpiperazin-1-yl)methanimine
SMILES[H]/N=C(/C1CN(C)CCO1)N1CCN(C)CC1
InChIInChI=1S/C11H22N4O/c1-13-3-5-15(6-4-13)11(12)10-9-14(2)7-8-16-10/h10,12H,3-9H2,1-2H3/b12-11-
InChIKeyGEEQXZNJJADKML-QXMHVHEDSA-N
XLogP-0.46
TPSA42.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (4-methylmorpholin-2-yl)-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of (4-methylmorpholin-2-yl)-(4-methylpiperazin-1-yl)methanimine (CID 79088476) is (4-methylmorpholin-2-yl)-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for (4-methylmorpholin-2-yl)-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for (4-methylmorpholin-2-yl)-(4-methylpiperazin-1-yl)methanimine is [H]/N=C(/C1CN(C)CCO1)N1CCN(C)CC1.
What is the InChIKey of (4-methylmorpholin-2-yl)-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is GEEQXZNJJADKML-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H22N4O/c1-13-3-5-15(6-4-13)11(12)10-9-14(2)7-8-16-10/h10,12H,3-9H2,1-2H3/b12-11-.
What are the key properties of (4-methylmorpholin-2-yl)-(4-methylpiperazin-1-yl)methanimine?
(4-methylmorpholin-2-yl)-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 226.32 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl)-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 79088476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).