N-(4-aminobutyl)-N-ethylhydroxylamine

C6H16N2O — CID 87658459

IUPACN-(4-aminobutyl)-N-ethylhydroxylamine
SMILESCCN(O)CCCCN
InChIInChI=1S/C6H16N2O/c1-2-8(9)6-4-3-5-7/h9H,2-7H2,1H3
InChIKeyMLDIGTVWNFMDGC-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.44
Rot. Bonds5

About N-(4-aminobutyl)-N-ethylhydroxylamine

N-(4-aminobutyl)-N-ethylhydroxylamine (PubChem CID 87658459) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is N-(4-aminobutyl)-N-ethylhydroxylamine.

Molecular Properties

Compound NameN-(4-aminobutyl)-N-ethylhydroxylamine
PubChem CID87658459
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC NameN-(4-aminobutyl)-N-ethylhydroxylamine
SMILESCCN(O)CCCCN
InChIInChI=1S/C6H16N2O/c1-2-8(9)6-4-3-5-7/h9H,2-7H2,1H3
InChIKeyMLDIGTVWNFMDGC-UHFFFAOYSA-N
XLogP0.44
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 50.44
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-N-ethylhydroxylamine?
The IUPAC name of N-(4-aminobutyl)-N-ethylhydroxylamine (CID 87658459) is N-(4-aminobutyl)-N-ethylhydroxylamine.
What is the SMILES notation for N-(4-aminobutyl)-N-ethylhydroxylamine?
The canonical SMILES for N-(4-aminobutyl)-N-ethylhydroxylamine is CCN(O)CCCCN.
What is the InChIKey of N-(4-aminobutyl)-N-ethylhydroxylamine?
The InChIKey is MLDIGTVWNFMDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-2-8(9)6-4-3-5-7/h9H,2-7H2,1H3.
What are the key properties of N-(4-aminobutyl)-N-ethylhydroxylamine?
N-(4-aminobutyl)-N-ethylhydroxylamine has a molecular weight of 132.21 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-N-ethylhydroxylamine is sourced from PubChem (CID 87658459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).