methyl-methylidene-propan-2-ylazanium

C5H12N+ — CID 59972610

IUPACmethyl-methylidene-propan-2-ylazanium
SMILESC=[N+](C)C(C)C
InChIInChI=1S/C5H12N/c1-5(2)6(3)4/h5H,3H2,1-2,4H3/q+1
InChIKeyDXTHOBWDZYLDOT-UHFFFAOYSA-N
MW86.16 g/mol
LogP0.74
Rot. Bonds1

About methyl-methylidene-propan-2-ylazanium

methyl-methylidene-propan-2-ylazanium (PubChem CID 59972610) has the molecular formula C5H12N+ and a molecular weight of 86.16 g/mol. Its IUPAC name is methyl-methylidene-propan-2-ylazanium.

Molecular Properties

Compound Namemethyl-methylidene-propan-2-ylazanium
PubChem CID59972610
Molecular FormulaC5H12N+
Molecular Weight86.16 g/mol
Exact Mass86.10
IUPAC Namemethyl-methylidene-propan-2-ylazanium
SMILESC=[N+](C)C(C)C
InChIInChI=1S/C5H12N/c1-5(2)6(3)4/h5H,3H2,1-2,4H3/q+1
InChIKeyDXTHOBWDZYLDOT-UHFFFAOYSA-N
XLogP0.74
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.16
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-propan-2-ylazanium?
The IUPAC name of methyl-methylidene-propan-2-ylazanium (CID 59972610) is methyl-methylidene-propan-2-ylazanium.
What is the SMILES notation for methyl-methylidene-propan-2-ylazanium?
The canonical SMILES for methyl-methylidene-propan-2-ylazanium is C=[N+](C)C(C)C.
What is the InChIKey of methyl-methylidene-propan-2-ylazanium?
The InChIKey is DXTHOBWDZYLDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N/c1-5(2)6(3)4/h5H,3H2,1-2,4H3/q+1.
What are the key properties of methyl-methylidene-propan-2-ylazanium?
methyl-methylidene-propan-2-ylazanium has a molecular weight of 86.16 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-propan-2-ylazanium is sourced from PubChem (CID 59972610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).