N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine

C12H25NO2 — CID 112589849

IUPACN-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
SMILESCC(CNC1CC1)OCCOC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-10(9-13-11-5-6-11)14-7-8-15-12(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyOWCWVRDLQRXHHS-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds7

About N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine

N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine (PubChem CID 112589849) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
PubChem CID112589849
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
SMILESCC(CNC1CC1)OCCOC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-10(9-13-11-5-6-11)14-7-8-15-12(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyOWCWVRDLQRXHHS-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
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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Related Compounds

N-(2-propoxypropyl)cyclopropanamine
CID 62451872
2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]propan-2-amine
CID 112589746
N-ethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112590002
N-(2-pent-4-enoxypropyl)cyclopropanamine
CID 79112694
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 112590123
N-(2-butan-2-yloxypropyl)cyclopropanamine
CID 62453628
N-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
CID 112587431
N-[2-(4-methylpentoxy)propyl]cyclopentanamine
CID 62598653
2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane
CID 162034273
N-(2-tert-butyl-3-methylpentyl)cyclopropanamine
CID 83138542
N-(2-ethoxypropyl)cyclooctanamine
CID 115724296
N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine
CID 66226160

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine?
The IUPAC name of N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine (CID 112589849) is N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine is CC(CNC1CC1)OCCOC(C)(C)C.
What is the InChIKey of N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine?
The InChIKey is OWCWVRDLQRXHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(9-13-11-5-6-11)14-7-8-15-12(2,3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine?
N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine is sourced from PubChem (CID 112589849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).