[2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine

C12H25NO2 — CID 43428867

IUPAC[2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine
SMILESCC(C)OCCOC1CCCCC1CN
InChIInChI=1S/C12H25NO2/c1-10(2)14-7-8-15-12-6-4-3-5-11(12)9-13/h10-12H,3-9,13H2,1-2H3
InChIKeyXTHCCPJOQQNHQV-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds6

About [2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine

[2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine (PubChem CID 43428867) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is [2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine
PubChem CID43428867
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name[2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine
SMILESCC(C)OCCOC1CCCCC1CN
InChIInChI=1S/C12H25NO2/c1-10(2)14-7-8-15-12-6-4-3-5-11(12)9-13/h10-12H,3-9,13H2,1-2H3
InChIKeyXTHCCPJOQQNHQV-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine 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 [2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine?
The IUPAC name of [2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine (CID 43428867) is [2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine?
The canonical SMILES for [2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine is CC(C)OCCOC1CCCCC1CN.
What is the InChIKey of [2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine?
The InChIKey is XTHCCPJOQQNHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)14-7-8-15-12-6-4-3-5-11(12)9-13/h10-12H,3-9,13H2,1-2H3.
What are the key properties of [2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine?
[2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine has a molecular weight of 215.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43428867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).