trimethyl-[(2-methylidenecyclohexyl)methyl]azanium

C11H22N+ — CID 14469944

IUPACtrimethyl-[(2-methylidenecyclohexyl)methyl]azanium
SMILESC=C1CCCCC1C[N+](C)(C)C
InChIInChI=1S/C11H22N/c1-10-7-5-6-8-11(10)9-12(2,3)4/h11H,1,5-9H2,2-4H3/q+1
InChIKeyCNNAQSNQMLMVFT-UHFFFAOYSA-N
MW168.30 g/mol
LogP2.44
Rot. Bonds2

About trimethyl-[(2-methylidenecyclohexyl)methyl]azanium

trimethyl-[(2-methylidenecyclohexyl)methyl]azanium (PubChem CID 14469944) has the molecular formula C11H22N+ and a molecular weight of 168.30 g/mol. Its IUPAC name is trimethyl-[(2-methylidenecyclohexyl)methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(2-methylidenecyclohexyl)methyl]azanium
PubChem CID14469944
Molecular FormulaC11H22N+
Molecular Weight168.30 g/mol
Exact Mass168.17
IUPAC Nametrimethyl-[(2-methylidenecyclohexyl)methyl]azanium
SMILESC=C1CCCCC1C[N+](C)(C)C
InChIInChI=1S/C11H22N/c1-10-7-5-6-8-11(10)9-12(2,3)4/h11H,1,5-9H2,2-4H3/q+1
InChIKeyCNNAQSNQMLMVFT-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2-methylidenecyclohexyl)methyl]azanium?
The IUPAC name of trimethyl-[(2-methylidenecyclohexyl)methyl]azanium (CID 14469944) is trimethyl-[(2-methylidenecyclohexyl)methyl]azanium.
What is the SMILES notation for trimethyl-[(2-methylidenecyclohexyl)methyl]azanium?
The canonical SMILES for trimethyl-[(2-methylidenecyclohexyl)methyl]azanium is C=C1CCCCC1C[N+](C)(C)C.
What is the InChIKey of trimethyl-[(2-methylidenecyclohexyl)methyl]azanium?
The InChIKey is CNNAQSNQMLMVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N/c1-10-7-5-6-8-11(10)9-12(2,3)4/h11H,1,5-9H2,2-4H3/q+1.
What are the key properties of trimethyl-[(2-methylidenecyclohexyl)methyl]azanium?
trimethyl-[(2-methylidenecyclohexyl)methyl]azanium has a molecular weight of 168.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2-methylidenecyclohexyl)methyl]azanium is sourced from PubChem (CID 14469944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).