dimethyl-(2,2,3-trimethyl-3-prop-1-en-2-ylcyclobutylidene)azanium

C12H22N+ — CID 134861922

IUPACdimethyl-(2,2,3-trimethyl-3-prop-1-en-2-ylcyclobutylidene)azanium
SMILESC=C(C)C1(C)CC(=[N+](C)C)C1(C)C
InChIInChI=1S/C12H22N/c1-9(2)12(5)8-10(13(6)7)11(12,3)4/h1,8H2,2-7H3/q+1
InChIKeyQLIPRISTPKIZRL-UHFFFAOYSA-N
MW180.31 g/mol
LogP2.71
Rot. Bonds1

About dimethyl-(2,2,3-trimethyl-3-prop-1-en-2-ylcyclobutylidene)azanium

dimethyl-(2,2,3-trimethyl-3-prop-1-en-2-ylcyclobutylidene)azanium (PubChem CID 134861922) has the molecular formula C12H22N+ and a molecular weight of 180.31 g/mol. Its IUPAC name is dimethyl-(2,2,3-trimethyl-3-prop-1-en-2-ylcyclobutylidene)azanium.

Molecular Properties

Compound Namedimethyl-(2,2,3-trimethyl-3-prop-1-en-2-ylcyclobutylidene)azanium
PubChem CID134861922
Molecular FormulaC12H22N+
Molecular Weight180.31 g/mol
Exact Mass180.17
IUPAC Namedimethyl-(2,2,3-trimethyl-3-prop-1-en-2-ylcyclobutylidene)azanium
SMILESC=C(C)C1(C)CC(=[N+](C)C)C1(C)C
InChIInChI=1S/C12H22N/c1-9(2)12(5)8-10(13(6)7)11(12,3)4/h1,8H2,2-7H3/q+1
InChIKeyQLIPRISTPKIZRL-UHFFFAOYSA-N
XLogP2.71
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.31
LogP ≤ 52.71
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'}

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Related Compounds

N,3,3,5,6-pentamethylhept-6-en-2-imine
CID 123186995
(3S)-N,3,4,4,8-pentamethyl-7-methylidenenon-8-en-2-imine
CID 134478141
N,3,4,6-tetramethyl-5-methylideneheptan-2-imine
CID 169682667
N,9,9-trimethyl-7-methylidenedecan-5-imine
CID 142070131

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2,2,3-trimethyl-3-prop-1-en-2-ylcyclobutylidene)azanium?
The IUPAC name of dimethyl-(2,2,3-trimethyl-3-prop-1-en-2-ylcyclobutylidene)azanium (CID 134861922) is dimethyl-(2,2,3-trimethyl-3-prop-1-en-2-ylcyclobutylidene)azanium.
What is the SMILES notation for dimethyl-(2,2,3-trimethyl-3-prop-1-en-2-ylcyclobutylidene)azanium?
The canonical SMILES for dimethyl-(2,2,3-trimethyl-3-prop-1-en-2-ylcyclobutylidene)azanium is C=C(C)C1(C)CC(=[N+](C)C)C1(C)C.
What is the InChIKey of dimethyl-(2,2,3-trimethyl-3-prop-1-en-2-ylcyclobutylidene)azanium?
The InChIKey is QLIPRISTPKIZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N/c1-9(2)12(5)8-10(13(6)7)11(12,3)4/h1,8H2,2-7H3/q+1.
What are the key properties of dimethyl-(2,2,3-trimethyl-3-prop-1-en-2-ylcyclobutylidene)azanium?
dimethyl-(2,2,3-trimethyl-3-prop-1-en-2-ylcyclobutylidene)azanium has a molecular weight of 180.31 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2,2,3-trimethyl-3-prop-1-en-2-ylcyclobutylidene)azanium is sourced from PubChem (CID 134861922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).