methane;N-propan-2-ylmethanimine

C5H13N — CID 167660866

IUPACmethane;N-propan-2-ylmethanimine
SMILESC.C=NC(C)C
InChIInChI=1S/C4H9N.CH4/c1-4(2)5-3;/h4H,3H2,1-2H3;1H4
InChIKeyRYBXBULJQJSRFD-UHFFFAOYSA-N
MW87.17 g/mol
LogP1.73
Rot. Bonds1

About methane;N-propan-2-ylmethanimine

methane;N-propan-2-ylmethanimine (PubChem CID 167660866) has the molecular formula C5H13N and a molecular weight of 87.17 g/mol. Its IUPAC name is methane;N-propan-2-ylmethanimine.

Molecular Properties

Compound Namemethane;N-propan-2-ylmethanimine
PubChem CID167660866
Molecular FormulaC5H13N
Molecular Weight87.17 g/mol
Exact Mass87.10
IUPAC Namemethane;N-propan-2-ylmethanimine
SMILESC.C=NC(C)C
InChIInChI=1S/C4H9N.CH4/c1-4(2)5-3;/h4H,3H2,1-2H3;1H4
InChIKeyRYBXBULJQJSRFD-UHFFFAOYSA-N
XLogP1.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-propan-2-ylmethanimine?
The IUPAC name of methane;N-propan-2-ylmethanimine (CID 167660866) is methane;N-propan-2-ylmethanimine.
What is the SMILES notation for methane;N-propan-2-ylmethanimine?
The canonical SMILES for methane;N-propan-2-ylmethanimine is C.C=NC(C)C.
What is the InChIKey of methane;N-propan-2-ylmethanimine?
The InChIKey is RYBXBULJQJSRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.CH4/c1-4(2)5-3;/h4H,3H2,1-2H3;1H4.
What are the key properties of methane;N-propan-2-ylmethanimine?
methane;N-propan-2-ylmethanimine has a molecular weight of 87.17 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-propan-2-ylmethanimine is sourced from PubChem (CID 167660866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).