N-butan-2-ylhydroxylamine

C4H11NO — CID 3018801

IUPACN-butan-2-ylhydroxylamine
SMILESCCC(C)NO
InChIInChI=1S/C4H11NO/c1-3-4(2)5-6/h4-6H,3H2,1-2H3
InChIKeyLHYPXHNPQLMXDH-UHFFFAOYSA-N
MW89.14 g/mol
LogP0.76
Rot. Bonds2

About N-butan-2-ylhydroxylamine

N-butan-2-ylhydroxylamine (PubChem CID 3018801) has the molecular formula C4H11NO and a molecular weight of 89.14 g/mol. Its IUPAC name is N-butan-2-ylhydroxylamine.

Molecular Properties

Compound NameN-butan-2-ylhydroxylamine
PubChem CID3018801
Molecular FormulaC4H11NO
Molecular Weight89.14 g/mol
Exact Mass89.08
IUPAC NameN-butan-2-ylhydroxylamine
SMILESCCC(C)NO
InChIInChI=1S/C4H11NO/c1-3-4(2)5-6/h4-6H,3H2,1-2H3
InChIKeyLHYPXHNPQLMXDH-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.14
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylhydroxylamine?
The IUPAC name of N-butan-2-ylhydroxylamine (CID 3018801) is N-butan-2-ylhydroxylamine.
What is the SMILES notation for N-butan-2-ylhydroxylamine?
The canonical SMILES for N-butan-2-ylhydroxylamine is CCC(C)NO.
What is the InChIKey of N-butan-2-ylhydroxylamine?
The InChIKey is LHYPXHNPQLMXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO/c1-3-4(2)5-6/h4-6H,3H2,1-2H3.
What are the key properties of N-butan-2-ylhydroxylamine?
N-butan-2-ylhydroxylamine has a molecular weight of 89.14 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylhydroxylamine is sourced from PubChem (CID 3018801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).