N-butylhydroxylamine;ethane

C6H17NO — CID 20502351

IUPACN-butylhydroxylamine;ethane
SMILESCC.CCCCNO
InChIInChI=1S/C4H11NO.C2H6/c1-2-3-4-5-6;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyLOHNREOQHLNITR-UHFFFAOYSA-N
MW119.21 g/mol
LogP1.79
Rot. Bonds3

About N-butylhydroxylamine;ethane

N-butylhydroxylamine;ethane (PubChem CID 20502351) has the molecular formula C6H17NO and a molecular weight of 119.21 g/mol. Its IUPAC name is N-butylhydroxylamine;ethane.

Molecular Properties

Compound NameN-butylhydroxylamine;ethane
PubChem CID20502351
Molecular FormulaC6H17NO
Molecular Weight119.21 g/mol
Exact Mass119.13
IUPAC NameN-butylhydroxylamine;ethane
SMILESCC.CCCCNO
InChIInChI=1S/C4H11NO.C2H6/c1-2-3-4-5-6;1-2/h5-6H,2-4H2,1H3;1-2H3
InChIKeyLOHNREOQHLNITR-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.21
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylhydroxylamine;ethane?
The IUPAC name of N-butylhydroxylamine;ethane (CID 20502351) is N-butylhydroxylamine;ethane.
What is the SMILES notation for N-butylhydroxylamine;ethane?
The canonical SMILES for N-butylhydroxylamine;ethane is CC.CCCCNO.
What is the InChIKey of N-butylhydroxylamine;ethane?
The InChIKey is LOHNREOQHLNITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C2H6/c1-2-3-4-5-6;1-2/h5-6H,2-4H2,1H3;1-2H3.
What are the key properties of N-butylhydroxylamine;ethane?
N-butylhydroxylamine;ethane has a molecular weight of 119.21 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylhydroxylamine;ethane is sourced from PubChem (CID 20502351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).