4-(dimethoxyamino)oxybutan-1-amine

C6H16N2O3 — CID 87512058

IUPAC4-(dimethoxyamino)oxybutan-1-amine
SMILESCON(OC)OCCCCN
InChIInChI=1S/C6H16N2O3/c1-9-8(10-2)11-6-4-3-5-7/h3-7H2,1-2H3
InChIKeyLQSPLWLFODPGOA-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.08
Rot. Bonds7

About 4-(dimethoxyamino)oxybutan-1-amine

4-(dimethoxyamino)oxybutan-1-amine (PubChem CID 87512058) has the molecular formula C6H16N2O3 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4-(dimethoxyamino)oxybutan-1-amine.

Molecular Properties

Compound Name4-(dimethoxyamino)oxybutan-1-amine
PubChem CID87512058
Molecular FormulaC6H16N2O3
Molecular Weight164.20 g/mol
Exact Mass164.12
IUPAC Name4-(dimethoxyamino)oxybutan-1-amine
SMILESCON(OC)OCCCCN
InChIInChI=1S/C6H16N2O3/c1-9-8(10-2)11-6-4-3-5-7/h3-7H2,1-2H3
InChIKeyLQSPLWLFODPGOA-UHFFFAOYSA-N
XLogP0.08
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(dimethoxyamino)oxybutan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxyamino)oxybutan-1-amine?
The IUPAC name of 4-(dimethoxyamino)oxybutan-1-amine (CID 87512058) is 4-(dimethoxyamino)oxybutan-1-amine.
What is the SMILES notation for 4-(dimethoxyamino)oxybutan-1-amine?
The canonical SMILES for 4-(dimethoxyamino)oxybutan-1-amine is CON(OC)OCCCCN.
What is the InChIKey of 4-(dimethoxyamino)oxybutan-1-amine?
The InChIKey is LQSPLWLFODPGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O3/c1-9-8(10-2)11-6-4-3-5-7/h3-7H2,1-2H3.
What are the key properties of 4-(dimethoxyamino)oxybutan-1-amine?
4-(dimethoxyamino)oxybutan-1-amine has a molecular weight of 164.20 g/mol, XLogP of 0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxyamino)oxybutan-1-amine is sourced from PubChem (CID 87512058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).