[amino-(cyclohexylamino)methylidene]-cyclohexylazanium

C13H26N3+ — CID 36689485

IUPAC[amino-(cyclohexylamino)methylidene]-cyclohexylazanium
SMILESN/C(NC1CCCCC1)=[NH+]\C1CCCCC1
InChIInChI=1S/C13H25N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H3,14,15,16)/p+1
InChIKeyMPUAUPQFSLHOHQ-UHFFFAOYSA-O
MW224.37 g/mol
LogP0.64
Rot. Bonds2

About [amino-(cyclohexylamino)methylidene]-cyclohexylazanium

[amino-(cyclohexylamino)methylidene]-cyclohexylazanium (PubChem CID 36689485) has the molecular formula C13H26N3+ and a molecular weight of 224.37 g/mol. Its IUPAC name is [amino-(cyclohexylamino)methylidene]-cyclohexylazanium.

Molecular Properties

Compound Name[amino-(cyclohexylamino)methylidene]-cyclohexylazanium
PubChem CID36689485
Molecular FormulaC13H26N3+
Molecular Weight224.37 g/mol
Exact Mass224.21
IUPAC Name[amino-(cyclohexylamino)methylidene]-cyclohexylazanium
SMILESN/C(NC1CCCCC1)=[NH+]\C1CCCCC1
InChIInChI=1S/C13H25N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H3,14,15,16)/p+1
InChIKeyMPUAUPQFSLHOHQ-UHFFFAOYSA-O
XLogP0.64
TPSA52.02 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino-(cyclohexylamino)methylidene]-cyclohexylazanium?
The IUPAC name of [amino-(cyclohexylamino)methylidene]-cyclohexylazanium (CID 36689485) is [amino-(cyclohexylamino)methylidene]-cyclohexylazanium.
What is the SMILES notation for [amino-(cyclohexylamino)methylidene]-cyclohexylazanium?
The canonical SMILES for [amino-(cyclohexylamino)methylidene]-cyclohexylazanium is N/C(NC1CCCCC1)=[NH+]\C1CCCCC1.
What is the InChIKey of [amino-(cyclohexylamino)methylidene]-cyclohexylazanium?
The InChIKey is MPUAUPQFSLHOHQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H25N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H3,14,15,16)/p+1.
What are the key properties of [amino-(cyclohexylamino)methylidene]-cyclohexylazanium?
[amino-(cyclohexylamino)methylidene]-cyclohexylazanium has a molecular weight of 224.37 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(cyclohexylamino)methylidene]-cyclohexylazanium is sourced from PubChem (CID 36689485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).