ethane;N-methyl-1-(4-methylpiperazin-1-yl)-1-morpholin-4-ylmethanimine

C13H28N4O — CID 162358383

IUPACethane;N-methyl-1-(4-methylpiperazin-1-yl)-1-morpholin-4-ylmethanimine
SMILESC/N=C(\N1CCOCC1)N1CCN(C)CC1.CC
InChIInChI=1S/C11H22N4O.C2H6/c1-12-11(15-7-9-16-10-8-15)14-5-3-13(2)4-6-14;1-2/h3-10H2,1-2H3;1-2H3/b12-11-;
InChIKeyKDMIGWFERZDQCZ-AFEZEDKISA-N
MW256.39 g/mol
LogP0.58
Rot. Bonds

About ethane;N-methyl-1-(4-methylpiperazin-1-yl)-1-morpholin-4-ylmethanimine

ethane;N-methyl-1-(4-methylpiperazin-1-yl)-1-morpholin-4-ylmethanimine (PubChem CID 162358383) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is ethane;N-methyl-1-(4-methylpiperazin-1-yl)-1-morpholin-4-ylmethanimine.

Molecular Properties

Compound Nameethane;N-methyl-1-(4-methylpiperazin-1-yl)-1-morpholin-4-ylmethanimine
PubChem CID162358383
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Nameethane;N-methyl-1-(4-methylpiperazin-1-yl)-1-morpholin-4-ylmethanimine
SMILESC/N=C(\N1CCOCC1)N1CCN(C)CC1.CC
InChIInChI=1S/C11H22N4O.C2H6/c1-12-11(15-7-9-16-10-8-15)14-5-3-13(2)4-6-14;1-2/h3-10H2,1-2H3;1-2H3/b12-11-;
InChIKeyKDMIGWFERZDQCZ-AFEZEDKISA-N
XLogP0.58
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethane;N-methyl-1-(4-methylpiperazin-1-yl)-1-morpholin-4-ylmethanimine?
The IUPAC name of ethane;N-methyl-1-(4-methylpiperazin-1-yl)-1-morpholin-4-ylmethanimine (CID 162358383) is ethane;N-methyl-1-(4-methylpiperazin-1-yl)-1-morpholin-4-ylmethanimine.
What is the SMILES notation for ethane;N-methyl-1-(4-methylpiperazin-1-yl)-1-morpholin-4-ylmethanimine?
The canonical SMILES for ethane;N-methyl-1-(4-methylpiperazin-1-yl)-1-morpholin-4-ylmethanimine is C/N=C(\N1CCOCC1)N1CCN(C)CC1.CC.
What is the InChIKey of ethane;N-methyl-1-(4-methylpiperazin-1-yl)-1-morpholin-4-ylmethanimine?
The InChIKey is KDMIGWFERZDQCZ-AFEZEDKISA-N. The full InChI is InChI=1S/C11H22N4O.C2H6/c1-12-11(15-7-9-16-10-8-15)14-5-3-13(2)4-6-14;1-2/h3-10H2,1-2H3;1-2H3/b12-11-;.
What are the key properties of ethane;N-methyl-1-(4-methylpiperazin-1-yl)-1-morpholin-4-ylmethanimine?
ethane;N-methyl-1-(4-methylpiperazin-1-yl)-1-morpholin-4-ylmethanimine has a molecular weight of 256.39 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(4-methylpiperazin-1-yl)-1-morpholin-4-ylmethanimine is sourced from PubChem (CID 162358383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).