[1,2-dimethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]-methyl-methylideneazanium

C12H22N+ — CID 170269903

IUPAC[1,2-dimethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]-methyl-methylideneazanium
SMILESC=[N+](C)C1(C)CC1(C)C(C)=C(C)C
InChIInChI=1S/C12H22N/c1-9(2)10(3)11(4)8-12(11,5)13(6)7/h6,8H2,1-5,7H3/q+1
InChIKeyQSXPUBGGFMJIAA-UHFFFAOYSA-N
MW180.31 g/mol
LogP2.85
Rot. Bonds2

About [1,2-dimethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]-methyl-methylideneazanium

[1,2-dimethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]-methyl-methylideneazanium (PubChem CID 170269903) has the molecular formula C12H22N+ and a molecular weight of 180.31 g/mol. Its IUPAC name is [1,2-dimethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]-methyl-methylideneazanium.

Molecular Properties

Compound Name[1,2-dimethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]-methyl-methylideneazanium
PubChem CID170269903
Molecular FormulaC12H22N+
Molecular Weight180.31 g/mol
Exact Mass180.17
IUPAC Name[1,2-dimethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]-methyl-methylideneazanium
SMILESC=[N+](C)C1(C)CC1(C)C(C)=C(C)C
InChIInChI=1S/C12H22N/c1-9(2)10(3)11(4)8-12(11,5)13(6)7/h6,8H2,1-5,7H3/q+1
InChIKeyQSXPUBGGFMJIAA-UHFFFAOYSA-N
XLogP2.85
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [1,2-dimethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]-methyl-methylideneazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1,2-dimethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]-methyl-methylideneazanium?
The IUPAC name of [1,2-dimethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]-methyl-methylideneazanium (CID 170269903) is [1,2-dimethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]-methyl-methylideneazanium.
What is the SMILES notation for [1,2-dimethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]-methyl-methylideneazanium?
The canonical SMILES for [1,2-dimethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]-methyl-methylideneazanium is C=[N+](C)C1(C)CC1(C)C(C)=C(C)C.
What is the InChIKey of [1,2-dimethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]-methyl-methylideneazanium?
The InChIKey is QSXPUBGGFMJIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N/c1-9(2)10(3)11(4)8-12(11,5)13(6)7/h6,8H2,1-5,7H3/q+1.
What are the key properties of [1,2-dimethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]-methyl-methylideneazanium?
[1,2-dimethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]-methyl-methylideneazanium has a molecular weight of 180.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-dimethyl-2-(3-methylbut-2-en-2-yl)cyclopropyl]-methyl-methylideneazanium is sourced from PubChem (CID 170269903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).