(1,4,4-triethylcyclohexyl)azanium hydroxide

C12H27NO — CID 140513463

IUPAC(1,4,4-triethylcyclohexyl)azanium hydroxide
SMILESCCC1([NH3+])CCC(CC)(CC)CC1.[OH-]
InChIInChI=1S/C12H25N.H2O/c1-4-11(5-2)7-9-12(13,6-3)10-8-11;/h4-10,13H2,1-3H3;1H2
InChIKeyFOHUTYPHJAOTQJ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.58
Rot. Bonds3

About (1,4,4-triethylcyclohexyl)azanium hydroxide

(1,4,4-triethylcyclohexyl)azanium hydroxide (PubChem CID 140513463) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is (1,4,4-triethylcyclohexyl)azanium hydroxide.

Molecular Properties

Compound Name(1,4,4-triethylcyclohexyl)azanium hydroxide
PubChem CID140513463
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name(1,4,4-triethylcyclohexyl)azanium hydroxide
SMILESCCC1([NH3+])CCC(CC)(CC)CC1.[OH-]
InChIInChI=1S/C12H25N.H2O/c1-4-11(5-2)7-9-12(13,6-3)10-8-11;/h4-10,13H2,1-3H3;1H2
InChIKeyFOHUTYPHJAOTQJ-UHFFFAOYSA-N
XLogP2.58
TPSA57.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1,4,4-triethylcyclohexyl)azanium hydroxide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,4,4-triethylcyclohexyl)azanium hydroxide?
The IUPAC name of (1,4,4-triethylcyclohexyl)azanium hydroxide (CID 140513463) is (1,4,4-triethylcyclohexyl)azanium hydroxide.
What is the SMILES notation for (1,4,4-triethylcyclohexyl)azanium hydroxide?
The canonical SMILES for (1,4,4-triethylcyclohexyl)azanium hydroxide is CCC1([NH3+])CCC(CC)(CC)CC1.[OH-].
What is the InChIKey of (1,4,4-triethylcyclohexyl)azanium hydroxide?
The InChIKey is FOHUTYPHJAOTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.H2O/c1-4-11(5-2)7-9-12(13,6-3)10-8-11;/h4-10,13H2,1-3H3;1H2.
What are the key properties of (1,4,4-triethylcyclohexyl)azanium hydroxide?
(1,4,4-triethylcyclohexyl)azanium hydroxide has a molecular weight of 201.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4,4-triethylcyclohexyl)azanium hydroxide is sourced from PubChem (CID 140513463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).