cyclohexyl(ethyl)azanium

C8H18N+ — CID 22015889

IUPACcyclohexyl(ethyl)azanium
SMILESCC[NH2+]C1CCCCC1
InChIInChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3/p+1
InChIKeyAGVKXDPPPSLISR-UHFFFAOYSA-O
MW128.24 g/mol
LogP0.90
Rot. Bonds2

About cyclohexyl(ethyl)azanium

cyclohexyl(ethyl)azanium (PubChem CID 22015889) has the molecular formula C8H18N+ and a molecular weight of 128.24 g/mol. Its IUPAC name is cyclohexyl(ethyl)azanium.

Molecular Properties

Compound Namecyclohexyl(ethyl)azanium
PubChem CID22015889
Molecular FormulaC8H18N+
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Namecyclohexyl(ethyl)azanium
SMILESCC[NH2+]C1CCCCC1
InChIInChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3/p+1
InChIKeyAGVKXDPPPSLISR-UHFFFAOYSA-O
XLogP0.90
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(ethyl)azanium?
The IUPAC name of cyclohexyl(ethyl)azanium (CID 22015889) is cyclohexyl(ethyl)azanium.
What is the SMILES notation for cyclohexyl(ethyl)azanium?
The canonical SMILES for cyclohexyl(ethyl)azanium is CC[NH2+]C1CCCCC1.
What is the InChIKey of cyclohexyl(ethyl)azanium?
The InChIKey is AGVKXDPPPSLISR-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3/p+1.
What are the key properties of cyclohexyl(ethyl)azanium?
cyclohexyl(ethyl)azanium has a molecular weight of 128.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(ethyl)azanium is sourced from PubChem (CID 22015889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).