methane;N-methylpropan-2-imine;propan-2-ol;propan-2-one

C11H27NO2 — CID 158315705

IUPACmethane;N-methylpropan-2-imine;propan-2-ol;propan-2-one
SMILESC.CC(C)=O.CC(C)O.CN=C(C)C
InChIInChI=1S/C4H9N.C3H8O.C3H6O.CH4/c1-4(2)5-3;2*1-3(2)4;/h1-3H3;3-4H,1-2H3;1-2H3;1H4
InChIKeyGOFRMIKYMBGCRJ-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.72
Rot. Bonds

About methane;N-methylpropan-2-imine;propan-2-ol;propan-2-one

methane;N-methylpropan-2-imine;propan-2-ol;propan-2-one (PubChem CID 158315705) has the molecular formula C11H27NO2 and a molecular weight of 205.34 g/mol. Its IUPAC name is methane;N-methylpropan-2-imine;propan-2-ol;propan-2-one.

Molecular Properties

Compound Namemethane;N-methylpropan-2-imine;propan-2-ol;propan-2-one
PubChem CID158315705
Molecular FormulaC11H27NO2
Molecular Weight205.34 g/mol
Exact Mass205.20
IUPAC Namemethane;N-methylpropan-2-imine;propan-2-ol;propan-2-one
SMILESC.CC(C)=O.CC(C)O.CN=C(C)C
InChIInChI=1S/C4H9N.C3H8O.C3H6O.CH4/c1-4(2)5-3;2*1-3(2)4;/h1-3H3;3-4H,1-2H3;1-2H3;1H4
InChIKeyGOFRMIKYMBGCRJ-UHFFFAOYSA-N
XLogP2.72
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;N-methylpropan-2-imine;propan-2-ol;propan-2-one?
The IUPAC name of methane;N-methylpropan-2-imine;propan-2-ol;propan-2-one (CID 158315705) is methane;N-methylpropan-2-imine;propan-2-ol;propan-2-one.
What is the SMILES notation for methane;N-methylpropan-2-imine;propan-2-ol;propan-2-one?
The canonical SMILES for methane;N-methylpropan-2-imine;propan-2-ol;propan-2-one is C.CC(C)=O.CC(C)O.CN=C(C)C.
What is the InChIKey of methane;N-methylpropan-2-imine;propan-2-ol;propan-2-one?
The InChIKey is GOFRMIKYMBGCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C3H8O.C3H6O.CH4/c1-4(2)5-3;2*1-3(2)4;/h1-3H3;3-4H,1-2H3;1-2H3;1H4.
What are the key properties of methane;N-methylpropan-2-imine;propan-2-ol;propan-2-one?
methane;N-methylpropan-2-imine;propan-2-ol;propan-2-one has a molecular weight of 205.34 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methylpropan-2-imine;propan-2-ol;propan-2-one is sourced from PubChem (CID 158315705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).