2-[[(Z)-hex-3-en-3-yl]amino]acetaldehyde

C8H15NO — CID 143642966

IUPAC2-[[(Z)-hex-3-en-3-yl]amino]acetaldehyde
SMILESCC/C=C(/CC)NCC=O
InChIInChI=1S/C8H15NO/c1-3-5-8(4-2)9-6-7-10/h5,7,9H,3-4,6H2,1-2H3/b8-5-
InChIKeyGDGABXHXDKRTGZ-YVMONPNESA-N
MW141.21 g/mol
LogP1.48
Rot. Bonds5

About 2-[[(Z)-hex-3-en-3-yl]amino]acetaldehyde

2-[[(Z)-hex-3-en-3-yl]amino]acetaldehyde (PubChem CID 143642966) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-[[(Z)-hex-3-en-3-yl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[[(Z)-hex-3-en-3-yl]amino]acetaldehyde
PubChem CID143642966
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-[[(Z)-hex-3-en-3-yl]amino]acetaldehyde
SMILESCC/C=C(/CC)NCC=O
InChIInChI=1S/C8H15NO/c1-3-5-8(4-2)9-6-7-10/h5,7,9H,3-4,6H2,1-2H3/b8-5-
InChIKeyGDGABXHXDKRTGZ-YVMONPNESA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-hex-3-en-3-yl]amino]acetaldehyde?
The IUPAC name of 2-[[(Z)-hex-3-en-3-yl]amino]acetaldehyde (CID 143642966) is 2-[[(Z)-hex-3-en-3-yl]amino]acetaldehyde.
What is the SMILES notation for 2-[[(Z)-hex-3-en-3-yl]amino]acetaldehyde?
The canonical SMILES for 2-[[(Z)-hex-3-en-3-yl]amino]acetaldehyde is CC/C=C(/CC)NCC=O.
What is the InChIKey of 2-[[(Z)-hex-3-en-3-yl]amino]acetaldehyde?
The InChIKey is GDGABXHXDKRTGZ-YVMONPNESA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-8(4-2)9-6-7-10/h5,7,9H,3-4,6H2,1-2H3/b8-5-.
What are the key properties of 2-[[(Z)-hex-3-en-3-yl]amino]acetaldehyde?
2-[[(Z)-hex-3-en-3-yl]amino]acetaldehyde has a molecular weight of 141.21 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-hex-3-en-3-yl]amino]acetaldehyde is sourced from PubChem (CID 143642966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).