ethane;N-methyl-1,1-dimorpholin-4-ylmethanimine

C12H25N3O2 — CID 162358342

IUPACethane;N-methyl-1,1-dimorpholin-4-ylmethanimine
SMILESCC.CN=C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H19N3O2.C2H6/c1-11-10(12-2-6-14-7-3-12)13-4-8-15-9-5-13;1-2/h2-9H2,1H3;1-2H3
InChIKeyKHQKNVATCRZCJX-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.66
Rot. Bonds

About ethane;N-methyl-1,1-dimorpholin-4-ylmethanimine

ethane;N-methyl-1,1-dimorpholin-4-ylmethanimine (PubChem CID 162358342) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethane;N-methyl-1,1-dimorpholin-4-ylmethanimine.

Molecular Properties

Compound Nameethane;N-methyl-1,1-dimorpholin-4-ylmethanimine
PubChem CID162358342
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Nameethane;N-methyl-1,1-dimorpholin-4-ylmethanimine
SMILESCC.CN=C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C10H19N3O2.C2H6/c1-11-10(12-2-6-14-7-3-12)13-4-8-15-9-5-13;1-2/h2-9H2,1H3;1-2H3
InChIKeyKHQKNVATCRZCJX-UHFFFAOYSA-N
XLogP0.66
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.66
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-1,1-dimorpholin-4-ylmethanimine?
The IUPAC name of ethane;N-methyl-1,1-dimorpholin-4-ylmethanimine (CID 162358342) is ethane;N-methyl-1,1-dimorpholin-4-ylmethanimine.
What is the SMILES notation for ethane;N-methyl-1,1-dimorpholin-4-ylmethanimine?
The canonical SMILES for ethane;N-methyl-1,1-dimorpholin-4-ylmethanimine is CC.CN=C(N1CCOCC1)N1CCOCC1.
What is the InChIKey of ethane;N-methyl-1,1-dimorpholin-4-ylmethanimine?
The InChIKey is KHQKNVATCRZCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2.C2H6/c1-11-10(12-2-6-14-7-3-12)13-4-8-15-9-5-13;1-2/h2-9H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-1,1-dimorpholin-4-ylmethanimine?
ethane;N-methyl-1,1-dimorpholin-4-ylmethanimine has a molecular weight of 243.35 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1,1-dimorpholin-4-ylmethanimine is sourced from PubChem (CID 162358342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).