2-(hex-4-enylamino)acetaldehyde

C8H15NO — CID 54499301

IUPAC2-(hex-4-enylamino)acetaldehyde
SMILESCC=CCCCNCC=O
InChIInChI=1S/C8H15NO/c1-2-3-4-5-6-9-7-8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyYBHRBRHJQDDHLE-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.13
Rot. Bonds6

About 2-(hex-4-enylamino)acetaldehyde

2-(hex-4-enylamino)acetaldehyde (PubChem CID 54499301) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(hex-4-enylamino)acetaldehyde.

Molecular Properties

Compound Name2-(hex-4-enylamino)acetaldehyde
PubChem CID54499301
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(hex-4-enylamino)acetaldehyde
SMILESCC=CCCCNCC=O
InChIInChI=1S/C8H15NO/c1-2-3-4-5-6-9-7-8-10/h2-3,8-9H,4-7H2,1H3
InChIKeyYBHRBRHJQDDHLE-UHFFFAOYSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.13
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hex-4-enylamino)acetaldehyde?
The IUPAC name of 2-(hex-4-enylamino)acetaldehyde (CID 54499301) is 2-(hex-4-enylamino)acetaldehyde.
What is the SMILES notation for 2-(hex-4-enylamino)acetaldehyde?
The canonical SMILES for 2-(hex-4-enylamino)acetaldehyde is CC=CCCCNCC=O.
What is the InChIKey of 2-(hex-4-enylamino)acetaldehyde?
The InChIKey is YBHRBRHJQDDHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-4-5-6-9-7-8-10/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-(hex-4-enylamino)acetaldehyde?
2-(hex-4-enylamino)acetaldehyde has a molecular weight of 141.21 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hex-4-enylamino)acetaldehyde is sourced from PubChem (CID 54499301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).