N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine

C12H27NO2 — CID 155034107

IUPACN-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine
SMILESCNCCOC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-11(2,3)14-9-7-12(4,5)15-10-8-13-6/h13H,7-10H2,1-6H3
InChIKeyYXVSPQGKCVRCGI-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.21
Rot. Bonds7

About N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine

N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine (PubChem CID 155034107) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine
PubChem CID155034107
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine
SMILESCNCCOC(C)(C)CCOC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-11(2,3)14-9-7-12(4,5)15-10-8-13-6/h13H,7-10H2,1-6H3
InChIKeyYXVSPQGKCVRCGI-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.21
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 N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine?
The IUPAC name of N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine (CID 155034107) is N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine.
What is the SMILES notation for N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine?
The canonical SMILES for N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine is CNCCOC(C)(C)CCOC(C)(C)C.
What is the InChIKey of N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine?
The InChIKey is YXVSPQGKCVRCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-11(2,3)14-9-7-12(4,5)15-10-8-13-6/h13H,7-10H2,1-6H3.
What are the key properties of N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine?
N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine has a molecular weight of 217.35 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanamine is sourced from PubChem (CID 155034107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).