(5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one;methane

C16H38N2O — CID 158396414

IUPAC(5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one;methane
SMILESC.C.C.C.C.C.C=C1/C(=C/C)C(=O)N(C)C(=C)N1C
InChIInChI=1S/C10H14N2O.6CH4/c1-6-9-7(2)11(4)8(3)12(5)10(9)13;;;;;;/h6H,2-3H2,1,4-5H3;6*1H4/b9-6-;;;;;;
InChIKeyGXPDWBLQJMPBOZ-GJVKVWNDSA-N
MW274.49 g/mol
LogP5.14
Rot. Bonds

About (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one;methane

(5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one;methane (PubChem CID 158396414) has the molecular formula C16H38N2O and a molecular weight of 274.49 g/mol. Its IUPAC name is (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one;methane.

Molecular Properties

Compound Name(5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one;methane
PubChem CID158396414
Molecular FormulaC16H38N2O
Molecular Weight274.49 g/mol
Exact Mass274.30
IUPAC Name(5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one;methane
SMILESC.C.C.C.C.C.C=C1/C(=C/C)C(=O)N(C)C(=C)N1C
InChIInChI=1S/C10H14N2O.6CH4/c1-6-9-7(2)11(4)8(3)12(5)10(9)13;;;;;;/h6H,2-3H2,1,4-5H3;6*1H4/b9-6-;;;;;;
InChIKeyGXPDWBLQJMPBOZ-GJVKVWNDSA-N
XLogP5.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one;methane?
The IUPAC name of (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one;methane (CID 158396414) is (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one;methane.
What is the SMILES notation for (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one;methane?
The canonical SMILES for (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one;methane is C.C.C.C.C.C.C=C1/C(=C/C)C(=O)N(C)C(=C)N1C.
What is the InChIKey of (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one;methane?
The InChIKey is GXPDWBLQJMPBOZ-GJVKVWNDSA-N. The full InChI is InChI=1S/C10H14N2O.6CH4/c1-6-9-7(2)11(4)8(3)12(5)10(9)13;;;;;;/h6H,2-3H2,1,4-5H3;6*1H4/b9-6-;;;;;;.
What are the key properties of (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one;methane?
(5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one;methane has a molecular weight of 274.49 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one;methane is sourced from PubChem (CID 158396414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).