2-(decylamino)acetaldehyde

C12H25NO — CID 87184304

IUPAC2-(decylamino)acetaldehyde
SMILESCCCCCCCCCCNCC=O
InChIInChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-13-11-12-14/h12-13H,2-11H2,1H3
InChIKeyFGROWCKMHPQUHB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.92
Rot. Bonds11

About 2-(decylamino)acetaldehyde

2-(decylamino)acetaldehyde (PubChem CID 87184304) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(decylamino)acetaldehyde.

Molecular Properties

Compound Name2-(decylamino)acetaldehyde
PubChem CID87184304
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(decylamino)acetaldehyde
SMILESCCCCCCCCCCNCC=O
InChIInChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-13-11-12-14/h12-13H,2-11H2,1H3
InChIKeyFGROWCKMHPQUHB-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.92
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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Related Compounds

N-prop-2-enyltridecan-1-amine
CID 22467882
2-(hexylamino)ethanethial
CID 87313709
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
N-butyltetradecan-1-amine
CID 3548872
methane;N-octyloctan-1-amine
CID 87294693
N-hexylhexan-1-amine;hydrochloride
CID 519999

Frequently Asked Questions

What is the IUPAC name of 2-(decylamino)acetaldehyde?
The IUPAC name of 2-(decylamino)acetaldehyde (CID 87184304) is 2-(decylamino)acetaldehyde.
What is the SMILES notation for 2-(decylamino)acetaldehyde?
The canonical SMILES for 2-(decylamino)acetaldehyde is CCCCCCCCCCNCC=O.
What is the InChIKey of 2-(decylamino)acetaldehyde?
The InChIKey is FGROWCKMHPQUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-13-11-12-14/h12-13H,2-11H2,1H3.
What are the key properties of 2-(decylamino)acetaldehyde?
2-(decylamino)acetaldehyde has a molecular weight of 199.34 g/mol, XLogP of 2.92, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decylamino)acetaldehyde is sourced from PubChem (CID 87184304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).