N-cyclohexylcarbamate;diethyl(2-hydroxyethyl)azanium;chloride

C13H28ClN2O3- — CID 3028070

IUPACN-cyclohexylcarbamate;diethyl(2-hydroxyethyl)azanium;chloride
SMILESCC[NH+](CC)CCO.O=C([O-])NC1CCCCC1.[Cl-]
InChIInChI=1S/C7H13NO2.C6H15NO.ClH/c9-7(10)8-6-4-2-1-3-5-6;1-3-7(4-2)5-6-8;/h6,8H,1-5H2,(H,9,10);8H,3-6H2,1-2H3;1H/p-1
InChIKeyKKIVHMDIRMDXKU-UHFFFAOYSA-M
MW295.83 g/mol
LogP-3.84
Rot. Bonds5

About N-cyclohexylcarbamate;diethyl(2-hydroxyethyl)azanium;chloride

N-cyclohexylcarbamate;diethyl(2-hydroxyethyl)azanium;chloride (PubChem CID 3028070) has the molecular formula C13H28ClN2O3- and a molecular weight of 295.83 g/mol. Its IUPAC name is N-cyclohexylcarbamate;diethyl(2-hydroxyethyl)azanium;chloride.

Molecular Properties

Compound NameN-cyclohexylcarbamate;diethyl(2-hydroxyethyl)azanium;chloride
PubChem CID3028070
Molecular FormulaC13H28ClN2O3-
Molecular Weight295.83 g/mol
Exact Mass295.18
IUPAC NameN-cyclohexylcarbamate;diethyl(2-hydroxyethyl)azanium;chloride
SMILESCC[NH+](CC)CCO.O=C([O-])NC1CCCCC1.[Cl-]
InChIInChI=1S/C7H13NO2.C6H15NO.ClH/c9-7(10)8-6-4-2-1-3-5-6;1-3-7(4-2)5-6-8;/h6,8H,1-5H2,(H,9,10);8H,3-6H2,1-2H3;1H/p-1
InChIKeyKKIVHMDIRMDXKU-UHFFFAOYSA-M
XLogP-3.84
TPSA76.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 5-3.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-cyclohexylcarbamate;diethyl(2-hydroxyethyl)azanium;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexylcarbamothioylamino)ethyl-diethylazanium
CID 2350192
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
N-cyclooctylbutanamide
CID 4614062
N-cyclohexyl-2-ethoxyacetamide
CID 4141421
N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
CID 141089668
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cycloundecyl-2-sulfanylacetamide
CID 59400510
N-cycloheptyl-2-sulfanylacetamide
CID 60650052
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcarbamate;diethyl(2-hydroxyethyl)azanium;chloride?
The IUPAC name of N-cyclohexylcarbamate;diethyl(2-hydroxyethyl)azanium;chloride (CID 3028070) is N-cyclohexylcarbamate;diethyl(2-hydroxyethyl)azanium;chloride.
What is the SMILES notation for N-cyclohexylcarbamate;diethyl(2-hydroxyethyl)azanium;chloride?
The canonical SMILES for N-cyclohexylcarbamate;diethyl(2-hydroxyethyl)azanium;chloride is CC[NH+](CC)CCO.O=C([O-])NC1CCCCC1.[Cl-].
What is the InChIKey of N-cyclohexylcarbamate;diethyl(2-hydroxyethyl)azanium;chloride?
The InChIKey is KKIVHMDIRMDXKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13NO2.C6H15NO.ClH/c9-7(10)8-6-4-2-1-3-5-6;1-3-7(4-2)5-6-8;/h6,8H,1-5H2,(H,9,10);8H,3-6H2,1-2H3;1H/p-1.
What are the key properties of N-cyclohexylcarbamate;diethyl(2-hydroxyethyl)azanium;chloride?
N-cyclohexylcarbamate;diethyl(2-hydroxyethyl)azanium;chloride has a molecular weight of 295.83 g/mol, XLogP of -3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcarbamate;diethyl(2-hydroxyethyl)azanium;chloride is sourced from PubChem (CID 3028070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).