4-[6-(oxiran-2-yl)hexoxy]butan-1-amine

C12H25NO2 — CID 165009264

IUPAC4-[6-(oxiran-2-yl)hexoxy]butan-1-amine
SMILESNCCCCOCCCCCCC1CO1
InChIInChI=1S/C12H25NO2/c13-8-4-6-10-14-9-5-2-1-3-7-12-11-15-12/h12H,1-11,13H2
InChIKeyUMGFJLUDYABXNR-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.09
Rot. Bonds11

About 4-[6-(oxiran-2-yl)hexoxy]butan-1-amine

4-[6-(oxiran-2-yl)hexoxy]butan-1-amine (PubChem CID 165009264) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-[6-(oxiran-2-yl)hexoxy]butan-1-amine.

Molecular Properties

Compound Name4-[6-(oxiran-2-yl)hexoxy]butan-1-amine
PubChem CID165009264
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-[6-(oxiran-2-yl)hexoxy]butan-1-amine
SMILESNCCCCOCCCCCCC1CO1
InChIInChI=1S/C12H25NO2/c13-8-4-6-10-14-9-5-2-1-3-7-12-11-15-12/h12H,1-11,13H2
InChIKeyUMGFJLUDYABXNR-UHFFFAOYSA-N
XLogP2.09
TPSA47.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.09
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-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane
CID 177262218
2-(4-dodecoxybutyl)oxirane
CID 22900888
2-[12-(oxiran-2-yl)dodecoxymethyl]oxirane
CID 141065543
2-[2-[4-[2-(oxiran-2-yl)ethoxy]butoxy]ethyl]oxirane
CID 177262160
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
hexane-1,6-diamine;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175215443
2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane
CID 68621187
5-(2-aminoethoxy)pentan-1-amine
CID 58473832
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
2-[4-[(E)-hex-3-enoxy]butyl]oxirane
CID 22768288

Frequently Asked Questions

What is the IUPAC name of 4-[6-(oxiran-2-yl)hexoxy]butan-1-amine?
The IUPAC name of 4-[6-(oxiran-2-yl)hexoxy]butan-1-amine (CID 165009264) is 4-[6-(oxiran-2-yl)hexoxy]butan-1-amine.
What is the SMILES notation for 4-[6-(oxiran-2-yl)hexoxy]butan-1-amine?
The canonical SMILES for 4-[6-(oxiran-2-yl)hexoxy]butan-1-amine is NCCCCOCCCCCCC1CO1.
What is the InChIKey of 4-[6-(oxiran-2-yl)hexoxy]butan-1-amine?
The InChIKey is UMGFJLUDYABXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c13-8-4-6-10-14-9-5-2-1-3-7-12-11-15-12/h12H,1-11,13H2.
What are the key properties of 4-[6-(oxiran-2-yl)hexoxy]butan-1-amine?
4-[6-(oxiran-2-yl)hexoxy]butan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 2.09, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(oxiran-2-yl)hexoxy]butan-1-amine is sourced from PubChem (CID 165009264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).