dimethyl-[(2-methylcyclopenten-1-yl)methylidene]azanium

C9H16N+ — CID 19849683

IUPACdimethyl-[(2-methylcyclopenten-1-yl)methylidene]azanium
SMILESCC1=C(C=[N+](C)C)CCC1
InChIInChI=1S/C9H16N/c1-8-5-4-6-9(8)7-10(2)3/h7H,4-6H2,1-3H3/q+1
InChIKeyNIJYMHWTEAXTGI-UHFFFAOYSA-N
MW138.23 g/mol
LogP1.83
Rot. Bonds1

About dimethyl-[(2-methylcyclopenten-1-yl)methylidene]azanium

dimethyl-[(2-methylcyclopenten-1-yl)methylidene]azanium (PubChem CID 19849683) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol. Its IUPAC name is dimethyl-[(2-methylcyclopenten-1-yl)methylidene]azanium.

Molecular Properties

Compound Namedimethyl-[(2-methylcyclopenten-1-yl)methylidene]azanium
PubChem CID19849683
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Namedimethyl-[(2-methylcyclopenten-1-yl)methylidene]azanium
SMILESCC1=C(C=[N+](C)C)CCC1
InChIInChI=1S/C9H16N/c1-8-5-4-6-9(8)7-10(2)3/h7H,4-6H2,1-3H3/q+1
InChIKeyNIJYMHWTEAXTGI-UHFFFAOYSA-N
XLogP1.83
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 51.83
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 dimethyl-[(2-methylcyclopenten-1-yl)methylidene]azanium?
The IUPAC name of dimethyl-[(2-methylcyclopenten-1-yl)methylidene]azanium (CID 19849683) is dimethyl-[(2-methylcyclopenten-1-yl)methylidene]azanium.
What is the SMILES notation for dimethyl-[(2-methylcyclopenten-1-yl)methylidene]azanium?
The canonical SMILES for dimethyl-[(2-methylcyclopenten-1-yl)methylidene]azanium is CC1=C(C=[N+](C)C)CCC1.
What is the InChIKey of dimethyl-[(2-methylcyclopenten-1-yl)methylidene]azanium?
The InChIKey is NIJYMHWTEAXTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N/c1-8-5-4-6-9(8)7-10(2)3/h7H,4-6H2,1-3H3/q+1.
What are the key properties of dimethyl-[(2-methylcyclopenten-1-yl)methylidene]azanium?
dimethyl-[(2-methylcyclopenten-1-yl)methylidene]azanium has a molecular weight of 138.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2-methylcyclopenten-1-yl)methylidene]azanium is sourced from PubChem (CID 19849683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).