4-(4-oxobutylamino)butanal

C8H15NO2 — CID 59036943

IUPAC4-(4-oxobutylamino)butanal
SMILESO=CCCCNCCCC=O
InChIInChI=1S/C8H15NO2/c10-7-3-1-5-9-6-2-4-8-11/h7-9H,1-6H2
InChIKeyVRDONQQLCXSBBX-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.53
Rot. Bonds8

About 4-(4-oxobutylamino)butanal

4-(4-oxobutylamino)butanal (PubChem CID 59036943) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(4-oxobutylamino)butanal.

Molecular Properties

Compound Name4-(4-oxobutylamino)butanal
PubChem CID59036943
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(4-oxobutylamino)butanal
SMILESO=CCCCNCCCC=O
InChIInChI=1S/C8H15NO2/c10-7-3-1-5-9-6-2-4-8-11/h7-9H,1-6H2
InChIKeyVRDONQQLCXSBBX-UHFFFAOYSA-N
XLogP0.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Acetamidobutanal
CID 440850
4-((3-Aminopropyl)amino)butanal
CID 19913541
Spermine dialdehyde
CID 217390
N-(3-ammoniopropyl)-4-ammoniobutanal
CID 25203056
4-Methylammoniobutanal
CID 20653072
4-(Methylamino)butanal
CID 443042
Spermine dialdehyde(2+)
CID 156621391
4-(2-Oxopropyl)aminobutanal
CID 45085699
Bis-oxopropylamine
CID 54044358
4-[(4-Aminobutyl)amino]butanal
CID 101255974
4,4'-(1,4-Butanediyldiimino)bisbutanal
CID 209465
4-(Ethylamino)butanal
CID 15628491

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxobutylamino)butanal?
The IUPAC name of 4-(4-oxobutylamino)butanal (CID 59036943) is 4-(4-oxobutylamino)butanal.
What is the SMILES notation for 4-(4-oxobutylamino)butanal?
The canonical SMILES for 4-(4-oxobutylamino)butanal is O=CCCCNCCCC=O.
What is the InChIKey of 4-(4-oxobutylamino)butanal?
The InChIKey is VRDONQQLCXSBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c10-7-3-1-5-9-6-2-4-8-11/h7-9H,1-6H2.
What are the key properties of 4-(4-oxobutylamino)butanal?
4-(4-oxobutylamino)butanal has a molecular weight of 157.21 g/mol, XLogP of 0.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxobutylamino)butanal is sourced from PubChem (CID 59036943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).