2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine

C12H27NO2 — CID 112587280

IUPAC2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine
SMILESCC(C)(CN)CCOCCOC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-11(2,3)15-9-8-14-7-6-12(4,5)10-13/h6-10,13H2,1-5H3
InChIKeyZCEHJIGZCGRERZ-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.19
Rot. Bonds7

About 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine

2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine (PubChem CID 112587280) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine
PubChem CID112587280
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine
SMILESCC(C)(CN)CCOCCOC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-11(2,3)15-9-8-14-7-6-12(4,5)10-13/h6-10,13H2,1-5H3
InChIKeyZCEHJIGZCGRERZ-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 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 ≤ 52.19
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

4-(2-ethoxyethoxy)-2,2-dimethylbutan-1-amine
CID 65249201
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
2,2-dimethyl-4-propoxybutan-1-amine
CID 65248577
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine
CID 104560395
3,3-dimethyl-1-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 153436884
2,2-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134553502
1-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol
CID 112590474
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylpropane
CID 134553507
1,3-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]propane
CID 122607174
2-methyl-2-[2-(2-propoxyethoxy)ethoxy]propane
CID 87735391
4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine
CID 82003924
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19871026

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine?
The IUPAC name of 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine (CID 112587280) is 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine is CC(C)(CN)CCOCCOC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine?
The InChIKey is ZCEHJIGZCGRERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-11(2,3)15-9-8-14-7-6-12(4,5)10-13/h6-10,13H2,1-5H3.
What are the key properties of 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine?
2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine is sourced from PubChem (CID 112587280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).