(1-aminocyclohexyl)-diethylazanium

C10H23N2+ — CID 173278720

IUPAC(1-aminocyclohexyl)-diethylazanium
SMILESCC[NH+](CC)C1(N)CCCCC1
InChIInChI=1S/C10H22N2/c1-3-12(4-2)10(11)8-6-5-7-9-10/h3-9,11H2,1-2H3/p+1
InChIKeyGIRAQIREXUAFSX-UHFFFAOYSA-O
MW171.31 g/mol
LogP0.53
Rot. Bonds3

About (1-aminocyclohexyl)-diethylazanium

(1-aminocyclohexyl)-diethylazanium (PubChem CID 173278720) has the molecular formula C10H23N2+ and a molecular weight of 171.31 g/mol. Its IUPAC name is (1-aminocyclohexyl)-diethylazanium.

Molecular Properties

Compound Name(1-aminocyclohexyl)-diethylazanium
PubChem CID173278720
Molecular FormulaC10H23N2+
Molecular Weight171.31 g/mol
Exact Mass171.19
IUPAC Name(1-aminocyclohexyl)-diethylazanium
SMILESCC[NH+](CC)C1(N)CCCCC1
InChIInChI=1S/C10H22N2/c1-3-12(4-2)10(11)8-6-5-7-9-10/h3-9,11H2,1-2H3/p+1
InChIKeyGIRAQIREXUAFSX-UHFFFAOYSA-O
XLogP0.53
TPSA30.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-(azaniumylmethyl)cyclohexyl]-diethylazanium
CID 9079353
N-chloro-1-ethylcycloheptan-1-amine
CID 142970343
1-ethyl-N-(1-ethylcyclopentyl)cyclopentan-1-amine
CID 22930909
1-(2-methylbutan-2-yl)cycloheptan-1-amine
CID 90700569
1-butylcyclohexan-1-amine
CID 13182498
bis(cyclodecane);cyclodecane-1,1-diamine
CID 22325955
1-butylcyclohexan-1-amine;hydrochloride
CID 45264189
1-propylsulfanylcyclohexan-1-amine
CID 68740722
2-ethyl-1-N-(1-methylcyclohexyl)butane-1,2-diamine
CID 79812479
1-(4-ethylphenyl)cycloheptan-1-amine
CID 62544052
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61337483
1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine
CID 62723021

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-diethylazanium?
The IUPAC name of (1-aminocyclohexyl)-diethylazanium (CID 173278720) is (1-aminocyclohexyl)-diethylazanium.
What is the SMILES notation for (1-aminocyclohexyl)-diethylazanium?
The canonical SMILES for (1-aminocyclohexyl)-diethylazanium is CC[NH+](CC)C1(N)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-diethylazanium?
The InChIKey is GIRAQIREXUAFSX-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H22N2/c1-3-12(4-2)10(11)8-6-5-7-9-10/h3-9,11H2,1-2H3/p+1.
What are the key properties of (1-aminocyclohexyl)-diethylazanium?
(1-aminocyclohexyl)-diethylazanium has a molecular weight of 171.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-diethylazanium is sourced from PubChem (CID 173278720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).