3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine

C12H25NO2 — CID 112587357

IUPAC3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine
SMILESCC(C)(C)OCCOC1CCCC(N)C1
InChIInChI=1S/C12H25NO2/c1-12(2,3)15-8-7-14-11-6-4-5-10(13)9-11/h10-11H,4-9,13H2,1-3H3
InChIKeyJORMWKYYDVTRKY-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.09
Rot. Bonds4

About 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine

3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine (PubChem CID 112587357) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine
PubChem CID112587357
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine
SMILESCC(C)(C)OCCOC1CCCC(N)C1
InChIInChI=1S/C12H25NO2/c1-12(2,3)15-8-7-14-11-6-4-5-10(13)9-11/h10-11H,4-9,13H2,1-3H3
InChIKeyJORMWKYYDVTRKY-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine (CID 112587357) is 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine is CC(C)(C)OCCOC1CCCC(N)C1.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine?
The InChIKey is JORMWKYYDVTRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,3)15-8-7-14-11-6-4-5-10(13)9-11/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine?
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine is sourced from PubChem (CID 112587357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).