2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine

C15H33NO2 — CID 123534203

IUPAC2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine
SMILESCCC(C)(N)OCCC(C)(CC)OCC(C)(C)C
InChIInChI=1S/C15H33NO2/c1-8-14(6,18-12-13(3,4)5)10-11-17-15(7,16)9-2/h8-12,16H2,1-7H3
InChIKeyLKYHYSOMUQOENS-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.71
Rot. Bonds8

About 2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine

2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine (PubChem CID 123534203) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine
PubChem CID123534203
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine
SMILESCCC(C)(N)OCCC(C)(CC)OCC(C)(C)C
InChIInChI=1S/C15H33NO2/c1-8-14(6,18-12-13(3,4)5)10-11-17-15(7,16)9-2/h8-12,16H2,1-7H3
InChIKeyLKYHYSOMUQOENS-UHFFFAOYSA-N
XLogP3.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[3-(3-aminopropoxy)-3-methylpentoxy]-4-methylhexan-1-amine
CID 143332737
2-(3-methylbutoxy)butan-2-amine
CID 176953255
4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine
CID 142600828
3-methyl-1-(3-methylpentan-3-yloxy)-3-(2-methylpropoxy)pentane
CID 89169879
2-[3-[3-[2-(2-aminoethoxy)ethoxy]-2,2-bis[2-(2-aminoethoxy)ethoxymethyl]propoxy]-3-methylpentoxy]-2-methylpropan-1-amine
CID 165429919
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methylhexan-1-amine
CID 90861062
3-(3-ethoxy-3-methylpentoxy)-3-methylpentan-1-ol
CID 155151234
3-methoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 123257231
4-(2-amino-2-methylpropoxy)-4-methylhexanoic acid
CID 88969016
2-(3,3-dimethylbutoxy)-2-methylbutan-1-ol
CID 90988843
(3-ethoxy-3-methylpentyl) hydrogen carbonate
CID 161219559
2-(2-methoxypropoxy)butan-2-amine
CID 121478464

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine?
The IUPAC name of 2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine (CID 123534203) is 2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine.
What is the SMILES notation for 2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine?
The canonical SMILES for 2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine is CCC(C)(N)OCCC(C)(CC)OCC(C)(C)C.
What is the InChIKey of 2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine?
The InChIKey is LKYHYSOMUQOENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-8-14(6,18-12-13(3,4)5)10-11-17-15(7,16)9-2/h8-12,16H2,1-7H3.
What are the key properties of 2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine?
2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine has a molecular weight of 259.43 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropoxy)-3-methylpentoxy]butan-2-amine is sourced from PubChem (CID 123534203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).