[1-(azaniumylmethyl)cyclohexyl]-diethylazanium

C11H26N2+2 — CID 9079353

IUPAC[1-(azaniumylmethyl)cyclohexyl]-diethylazanium
SMILESCC[NH+](CC)C1(C[NH3+])CCCCC1
InChIInChI=1S/C11H24N2/c1-3-13(4-2)11(10-12)8-6-5-7-9-11/h3-10,12H2,1-2H3/p+2
InChIKeyFNFZQQDMUXFKDE-UHFFFAOYSA-P
MW186.34 g/mol
LogP-0.14
Rot. Bonds4

About [1-(azaniumylmethyl)cyclohexyl]-diethylazanium

[1-(azaniumylmethyl)cyclohexyl]-diethylazanium (PubChem CID 9079353) has the molecular formula C11H26N2+2 and a molecular weight of 186.34 g/mol. Its IUPAC name is [1-(azaniumylmethyl)cyclohexyl]-diethylazanium.

Molecular Properties

Compound Name[1-(azaniumylmethyl)cyclohexyl]-diethylazanium
PubChem CID9079353
Molecular FormulaC11H26N2+2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name[1-(azaniumylmethyl)cyclohexyl]-diethylazanium
SMILESCC[NH+](CC)C1(C[NH3+])CCCCC1
InChIInChI=1S/C11H24N2/c1-3-13(4-2)11(10-12)8-6-5-7-9-11/h3-10,12H2,1-2H3/p+2
InChIKeyFNFZQQDMUXFKDE-UHFFFAOYSA-P
XLogP-0.14
TPSA32.08 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [1-(azaniumylmethyl)cyclohexyl]-diethylazanium?
The IUPAC name of [1-(azaniumylmethyl)cyclohexyl]-diethylazanium (CID 9079353) is [1-(azaniumylmethyl)cyclohexyl]-diethylazanium.
What is the SMILES notation for [1-(azaniumylmethyl)cyclohexyl]-diethylazanium?
The canonical SMILES for [1-(azaniumylmethyl)cyclohexyl]-diethylazanium is CC[NH+](CC)C1(C[NH3+])CCCCC1.
What is the InChIKey of [1-(azaniumylmethyl)cyclohexyl]-diethylazanium?
The InChIKey is FNFZQQDMUXFKDE-UHFFFAOYSA-P. The full InChI is InChI=1S/C11H24N2/c1-3-13(4-2)11(10-12)8-6-5-7-9-11/h3-10,12H2,1-2H3/p+2.
What are the key properties of [1-(azaniumylmethyl)cyclohexyl]-diethylazanium?
[1-(azaniumylmethyl)cyclohexyl]-diethylazanium has a molecular weight of 186.34 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azaniumylmethyl)cyclohexyl]-diethylazanium is sourced from PubChem (CID 9079353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).