cyclohexyl-methyl-(methyliminomethylidene)azanium

C9H17N2+ — CID 54275440

IUPACcyclohexyl-methyl-(methyliminomethylidene)azanium
SMILESCN=C=[N+](C)C1CCCCC1
InChIInChI=1S/C9H17N2/c1-10-8-11(2)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3/q+1
InChIKeyQIQJUIPEXPIAOR-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.77
Rot. Bonds1

About cyclohexyl-methyl-(methyliminomethylidene)azanium

cyclohexyl-methyl-(methyliminomethylidene)azanium (PubChem CID 54275440) has the molecular formula C9H17N2+ and a molecular weight of 153.25 g/mol. Its IUPAC name is cyclohexyl-methyl-(methyliminomethylidene)azanium.

Molecular Properties

Compound Namecyclohexyl-methyl-(methyliminomethylidene)azanium
PubChem CID54275440
Molecular FormulaC9H17N2+
Molecular Weight153.25 g/mol
Exact Mass153.14
IUPAC Namecyclohexyl-methyl-(methyliminomethylidene)azanium
SMILESCN=C=[N+](C)C1CCCCC1
InChIInChI=1S/C9H17N2/c1-10-8-11(2)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3/q+1
InChIKeyQIQJUIPEXPIAOR-UHFFFAOYSA-N
XLogP1.77
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 cyclohexyl-methyl-(methyliminomethylidene)azanium?
The IUPAC name of cyclohexyl-methyl-(methyliminomethylidene)azanium (CID 54275440) is cyclohexyl-methyl-(methyliminomethylidene)azanium.
What is the SMILES notation for cyclohexyl-methyl-(methyliminomethylidene)azanium?
The canonical SMILES for cyclohexyl-methyl-(methyliminomethylidene)azanium is CN=C=[N+](C)C1CCCCC1.
What is the InChIKey of cyclohexyl-methyl-(methyliminomethylidene)azanium?
The InChIKey is QIQJUIPEXPIAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2/c1-10-8-11(2)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3/q+1.
What are the key properties of cyclohexyl-methyl-(methyliminomethylidene)azanium?
cyclohexyl-methyl-(methyliminomethylidene)azanium has a molecular weight of 153.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-methyl-(methyliminomethylidene)azanium is sourced from PubChem (CID 54275440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).