3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine

C16H35NO3 — CID 104564633

IUPAC3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine
SMILESCCCCOCCOCCOCCC(C(C)C)C(C)N
InChIInChI=1S/C16H35NO3/c1-5-6-8-18-10-12-20-13-11-19-9-7-16(14(2)3)15(4)17/h14-16H,5-13,17H2,1-4H3
InChIKeyZBZYONKABYIYRJ-UHFFFAOYSA-N
MW289.46 g/mol
LogP2.85
Rot. Bonds14

About 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine

3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine (PubChem CID 104564633) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine
PubChem CID104564633
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine
SMILESCCCCOCCOCCOCCC(C(C)C)C(C)N
InChIInChI=1S/C16H35NO3/c1-5-6-8-18-10-12-20-13-11-19-9-7-16(14(2)3)15(4)17/h14-16H,5-13,17H2,1-4H3
InChIKeyZBZYONKABYIYRJ-UHFFFAOYSA-N
XLogP2.85
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N,4-dimethylpentan-2-amine
CID 104564635
3-(2-butoxyethyl)-4-methylpentan-2-ol
CID 62914613
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine
CID 104568410
3-propan-2-yldodecan-2-amine
CID 63401694
3-propan-2-yltridecan-2-amine
CID 63401691
3-propan-2-yldecan-2-amine
CID 63401734
2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine
CID 22901827
3-(2-butoxyethoxy)butan-2-amine
CID 61351775
(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
CID 104560995
1-(2-butoxyethoxy)propan-2-amine
CID 43127528
1-amino-3-butoxypropan-1-ol
CID 57047625

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine?
The IUPAC name of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine (CID 104564633) is 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine.
What is the SMILES notation for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine?
The canonical SMILES for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine is CCCCOCCOCCOCCC(C(C)C)C(C)N.
What is the InChIKey of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine?
The InChIKey is ZBZYONKABYIYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3/c1-5-6-8-18-10-12-20-13-11-19-9-7-16(14(2)3)15(4)17/h14-16H,5-13,17H2,1-4H3.
What are the key properties of 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine?
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 2.85, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylpentan-2-amine is sourced from PubChem (CID 104564633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).