4-(2-aminoethoxyamino)butanal

C6H14N2O2 — CID 143632834

IUPAC4-(2-aminoethoxyamino)butanal
SMILESNCCONCCCC=O
InChIInChI=1S/C6H14N2O2/c7-3-6-10-8-4-1-2-5-9/h5,8H,1-4,6-7H2
InChIKeyCXWRAGVZYIPWAK-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.55
Rot. Bonds7

About 4-(2-aminoethoxyamino)butanal

4-(2-aminoethoxyamino)butanal (PubChem CID 143632834) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4-(2-aminoethoxyamino)butanal.

Molecular Properties

Compound Name4-(2-aminoethoxyamino)butanal
PubChem CID143632834
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name4-(2-aminoethoxyamino)butanal
SMILESNCCONCCCC=O
InChIInChI=1S/C6H14N2O2/c7-3-6-10-8-4-1-2-5-9/h5,8H,1-4,6-7H2
InChIKeyCXWRAGVZYIPWAK-UHFFFAOYSA-N
XLogP-0.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-aminoethoxy)ethane-1,2-diamine
CID 54074422
4-(3-aminopropylamino)butanal
CID 19913541
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435287
4-aminobutanal;ethane
CID 91518862
3-(2-aminoethoxy)propanal;ethane;molecular hydrogen
CID 177180522
2-(5-aminopentylamino)oxyethanol
CID 88588722
16-(16-oxohexadecoxy)hexadecanal
CID 87509641
10-(10-oxodecoxy)decanal
CID 151900645
hydrazine;pentanedial
CID 19882033
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethoxy]ethyl]formamide
CID 156794668
4-amino-N-(4-oxobutyl)butanamide
CID 123471049
4-[2-amino-3-(4-oxobutoxy)-2-(4-oxobutoxymethyl)propoxy]butanal
CID 88956265

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxyamino)butanal?
The IUPAC name of 4-(2-aminoethoxyamino)butanal (CID 143632834) is 4-(2-aminoethoxyamino)butanal.
What is the SMILES notation for 4-(2-aminoethoxyamino)butanal?
The canonical SMILES for 4-(2-aminoethoxyamino)butanal is NCCONCCCC=O.
What is the InChIKey of 4-(2-aminoethoxyamino)butanal?
The InChIKey is CXWRAGVZYIPWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c7-3-6-10-8-4-1-2-5-9/h5,8H,1-4,6-7H2.
What are the key properties of 4-(2-aminoethoxyamino)butanal?
4-(2-aminoethoxyamino)butanal has a molecular weight of 146.19 g/mol, XLogP of -0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxyamino)butanal is sourced from PubChem (CID 143632834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).