2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine

C9H19NO2 — CID 89212237

IUPAC2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine
SMILESCCCCOCC(N)[C@]1(C)CO1
InChIInChI=1S/C9H19NO2/c1-3-4-5-11-6-8(10)9(2)7-12-9/h8H,3-7,10H2,1-2H3/t8?,9-/m0/s1
InChIKeyKWMNPUYKPRJSAV-GKAPJAKFSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds6

About 2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine

2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine (PubChem CID 89212237) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine.

Molecular Properties

Compound Name2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine
PubChem CID89212237
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine
SMILESCCCCOCC(N)[C@]1(C)CO1
InChIInChI=1S/C9H19NO2/c1-3-4-5-11-6-8(10)9(2)7-12-9/h8H,3-7,10H2,1-2H3/t8?,9-/m0/s1
InChIKeyKWMNPUYKPRJSAV-GKAPJAKFSA-N
XLogP0.92
TPSA47.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-1-chloroethanamine
CID 174226155
2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine
CID 22901827
(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
CID 104560995
1-(2-butoxyethoxy)propan-2-amine
CID 43127528
(2S)-2-amino-3-butoxypropan-1-ol
CID 89011091
2-methyl-2-(pentoxymethyl)oxirane
CID 23468435
1-(2-butoxyethoxy)-3-methoxypropan-2-amine
CID 107506709
2-(heptoxymethyl)-2-methyloxirane
CID 23468444
2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol
CID 104567836
1,3-dibutoxypropan-2-ylhydrazine
CID 89380830
(2S)-1-butoxypropan-2-ol
CID 54289557
1-methoxy-3-pentoxypropan-2-amine
CID 107506771

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine?
The IUPAC name of 2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine (CID 89212237) is 2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine.
What is the SMILES notation for 2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine?
The canonical SMILES for 2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine is CCCCOCC(N)[C@]1(C)CO1.
What is the InChIKey of 2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine?
The InChIKey is KWMNPUYKPRJSAV-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-4-5-11-6-8(10)9(2)7-12-9/h8H,3-7,10H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of 2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine?
2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine has a molecular weight of 173.26 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-[(2R)-2-methyloxiran-2-yl]ethanamine is sourced from PubChem (CID 89212237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).