N-[5-(3-butyloxiran-2-yl)pentyl]hydroxylamine

C11H23NO2 — CID 167175318

IUPACN-[5-(3-butyloxiran-2-yl)pentyl]hydroxylamine
SMILESCCCCC1OC1CCCCCNO
InChIInChI=1S/C11H23NO2/c1-2-3-7-10-11(14-10)8-5-4-6-9-12-13/h10-13H,2-9H2,1H3
InChIKeySWIPKYNVVXILMJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.48
Rot. Bonds9

About N-[5-(3-butyloxiran-2-yl)pentyl]hydroxylamine

N-[5-(3-butyloxiran-2-yl)pentyl]hydroxylamine (PubChem CID 167175318) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[5-(3-butyloxiran-2-yl)pentyl]hydroxylamine.

Molecular Properties

Compound NameN-[5-(3-butyloxiran-2-yl)pentyl]hydroxylamine
PubChem CID167175318
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[5-(3-butyloxiran-2-yl)pentyl]hydroxylamine
SMILESCCCCC1OC1CCCCCNO
InChIInChI=1S/C11H23NO2/c1-2-3-7-10-11(14-10)8-5-4-6-9-12-13/h10-13H,2-9H2,1H3
InChIKeySWIPKYNVVXILMJ-UHFFFAOYSA-N
XLogP2.48
TPSA44.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-3-undecyloxirane
CID 88518775
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-hexyl-3-pentadecyloxirane
CID 21447526
(2S,3S)-2,3-dioctyloxirane
CID 71399050
2-heptyl-3-octyloxirane
CID 57269313
ethane;N-hexylhydroxylamine
CID 23139656
(2R,3S)-2-butyl-3-propyloxirane
CID 13394975
(2R,3R)-2-(iodomethyl)-3-undecyloxirane
CID 10980657
9-(3-heptyloxiran-2-yl)nonan-1-ol
CID 102117929
[(2S,3S)-3-heptyloxiran-2-yl]methanol
CID 11019334
4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol
CID 170849392
2-ethyl-3-henicosyloxirane
CID 20501424

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-butyloxiran-2-yl)pentyl]hydroxylamine?
The IUPAC name of N-[5-(3-butyloxiran-2-yl)pentyl]hydroxylamine (CID 167175318) is N-[5-(3-butyloxiran-2-yl)pentyl]hydroxylamine.
What is the SMILES notation for N-[5-(3-butyloxiran-2-yl)pentyl]hydroxylamine?
The canonical SMILES for N-[5-(3-butyloxiran-2-yl)pentyl]hydroxylamine is CCCCC1OC1CCCCCNO.
What is the InChIKey of N-[5-(3-butyloxiran-2-yl)pentyl]hydroxylamine?
The InChIKey is SWIPKYNVVXILMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-3-7-10-11(14-10)8-5-4-6-9-12-13/h10-13H,2-9H2,1H3.
What are the key properties of N-[5-(3-butyloxiran-2-yl)pentyl]hydroxylamine?
N-[5-(3-butyloxiran-2-yl)pentyl]hydroxylamine has a molecular weight of 201.31 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-butyloxiran-2-yl)pentyl]hydroxylamine is sourced from PubChem (CID 167175318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).