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

C10H23NO2 — CID 112587422

IUPAC4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
SMILESCC(N)CCOCCOC(C)(C)C
InChIInChI=1S/C10H23NO2/c1-9(11)5-6-12-7-8-13-10(2,3)4/h9H,5-8,11H2,1-4H3
InChIKeyBWEOEVOEFKIOCW-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.56
Rot. Bonds6

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

4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine (PubChem CID 112587422) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine.

Molecular Properties

Compound Name4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
PubChem CID112587422
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
SMILESCC(N)CCOCCOC(C)(C)C
InChIInChI=1S/C10H23NO2/c1-9(11)5-6-12-7-8-13-10(2,3)4/h9H,5-8,11H2,1-4H3
InChIKeyBWEOEVOEFKIOCW-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.56
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

(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 103939491
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
3-[(2-methylpropan-2-yl)oxy]-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butane
CID 155769092
2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate
CID 112588145
3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane
CID 139316697
2,2-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134553502
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
2-[(2-methylpropan-2-yl)oxy]ethyl 6-amino-2-methylheptanoate
CID 112588229
3-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 112590457
3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentane-1-sulfonyl chloride
CID 112590342

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine?
The IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine (CID 112587422) is 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine.
What is the SMILES notation for 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine?
The canonical SMILES for 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine is CC(N)CCOCCOC(C)(C)C.
What is the InChIKey of 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine?
The InChIKey is BWEOEVOEFKIOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-9(11)5-6-12-7-8-13-10(2,3)4/h9H,5-8,11H2,1-4H3.
What are the key properties of 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine?
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine is sourced from PubChem (CID 112587422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).