N-butyl-N-(1-ethoxyethyl)hydroxylamine

C8H19NO2 — CID 21400500

IUPACN-butyl-N-(1-ethoxyethyl)hydroxylamine
SMILESCCCCN(O)C(C)OCC
InChIInChI=1S/C8H19NO2/c1-4-6-7-9(10)8(3)11-5-2/h8,10H,4-7H2,1-3H3
InChIKeyINYHURKSRIUAOA-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.86
Rot. Bonds6

About N-butyl-N-(1-ethoxyethyl)hydroxylamine

N-butyl-N-(1-ethoxyethyl)hydroxylamine (PubChem CID 21400500) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is N-butyl-N-(1-ethoxyethyl)hydroxylamine.

Molecular Properties

Compound NameN-butyl-N-(1-ethoxyethyl)hydroxylamine
PubChem CID21400500
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC NameN-butyl-N-(1-ethoxyethyl)hydroxylamine
SMILESCCCCN(O)C(C)OCC
InChIInChI=1S/C8H19NO2/c1-4-6-7-9(10)8(3)11-5-2/h8,10H,4-7H2,1-3H3
InChIKeyINYHURKSRIUAOA-UHFFFAOYSA-N
XLogP1.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-N-(1-ethoxyethyl)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-ethoxyethyl)-N-ethylhydroxylamine
CID 19893007
N-butyl-N-(1-diethoxyphosphoryl-2,2-dimethylpropyl)hydroxylamine
CID 23143931
N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine
CID 63070467
N-butan-2-yl-N-butyl-2-propan-2-yloxyacetamide
CID 112687224
tributyl-[(E)-3-ethoxybut-1-enyl]stannane
CID 10340261
N-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine
CID 91804581
N-butyl-N-(2-ethoxyethyl)hydroxylamine
CID 88829562
1-ethoxyethanol;pentan-1-ol
CID 160817042
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
4-[butyl(methyl)amino]-2-ethoxybutanoic acid
CID 63069285
(3S)-2-[butyl(2,2-dihydroxyethyl)amino]butane-1,3-diol
CID 130199633
(3S)-3-ethoxy-2-methylheptane
CID 3086090

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1-ethoxyethyl)hydroxylamine?
The IUPAC name of N-butyl-N-(1-ethoxyethyl)hydroxylamine (CID 21400500) is N-butyl-N-(1-ethoxyethyl)hydroxylamine.
What is the SMILES notation for N-butyl-N-(1-ethoxyethyl)hydroxylamine?
The canonical SMILES for N-butyl-N-(1-ethoxyethyl)hydroxylamine is CCCCN(O)C(C)OCC.
What is the InChIKey of N-butyl-N-(1-ethoxyethyl)hydroxylamine?
The InChIKey is INYHURKSRIUAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-4-6-7-9(10)8(3)11-5-2/h8,10H,4-7H2,1-3H3.
What are the key properties of N-butyl-N-(1-ethoxyethyl)hydroxylamine?
N-butyl-N-(1-ethoxyethyl)hydroxylamine has a molecular weight of 161.24 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1-ethoxyethyl)hydroxylamine is sourced from PubChem (CID 21400500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).