2-(butylamino)acetaldehyde

C6H13NO — CID 18690825

IUPAC2-(butylamino)acetaldehyde
SMILESCCCCNCC=O
InChIInChI=1S/C6H13NO/c1-2-3-4-7-5-6-8/h6-7H,2-5H2,1H3
InChIKeyNIZYOZGZYULYMF-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.57
Rot. Bonds5

About 2-(butylamino)acetaldehyde

2-(butylamino)acetaldehyde (PubChem CID 18690825) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-(butylamino)acetaldehyde.

Molecular Properties

Compound Name2-(butylamino)acetaldehyde
PubChem CID18690825
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-(butylamino)acetaldehyde
SMILESCCCCNCC=O
InChIInChI=1S/C6H13NO/c1-2-3-4-7-5-6-8/h6-7H,2-5H2,1H3
InChIKeyNIZYOZGZYULYMF-UHFFFAOYSA-N
XLogP0.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)acetaldehyde?
The IUPAC name of 2-(butylamino)acetaldehyde (CID 18690825) is 2-(butylamino)acetaldehyde.
What is the SMILES notation for 2-(butylamino)acetaldehyde?
The canonical SMILES for 2-(butylamino)acetaldehyde is CCCCNCC=O.
What is the InChIKey of 2-(butylamino)acetaldehyde?
The InChIKey is NIZYOZGZYULYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-3-4-7-5-6-8/h6-7H,2-5H2,1H3.
What are the key properties of 2-(butylamino)acetaldehyde?
2-(butylamino)acetaldehyde has a molecular weight of 115.18 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)acetaldehyde is sourced from PubChem (CID 18690825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).