2-(dodecylamino)acetaldehyde

C14H29NO — CID 19008509

IUPAC2-(dodecylamino)acetaldehyde
SMILESCCCCCCCCCCCCNCC=O
InChIInChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16/h14-15H,2-13H2,1H3
InChIKeyOCTULVJMGFYJIY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.70
Rot. Bonds13

About 2-(dodecylamino)acetaldehyde

2-(dodecylamino)acetaldehyde (PubChem CID 19008509) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(dodecylamino)acetaldehyde.

Molecular Properties

Compound Name2-(dodecylamino)acetaldehyde
PubChem CID19008509
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(dodecylamino)acetaldehyde
SMILESCCCCCCCCCCCCNCC=O
InChIInChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16/h14-15H,2-13H2,1H3
InChIKeyOCTULVJMGFYJIY-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.70
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

(2S)-2-(cyclohexylamino)propanal
CID 18666973
2-[Dodecyl(methyl)amino]acetaldehyde
CID 21716138
N-decylaminoacetaldehyde
CID 87184304
Octylaminoacetone
CID 156613169
2-(6-Aminohexylamino)acetaldehyde
CID 18358431
2-(Tetradecylamino)acetaldehyde
CID 19937302
3-(Dodecylamino)propanal
CID 19937303
2-(1-Methylhexylamino)acetaldehyde
CID 20307416
2-(Pentylamino)acetaldehyde
CID 20548449
2-(Hexylamino)acetaldehyde
CID 20548465
3-(Heptylamino)propanal
CID 21129259
2-[3-Aminopropyl(dodecyl)amino]acetaldehyde
CID 21540572

Frequently Asked Questions

What is the IUPAC name of 2-(dodecylamino)acetaldehyde?
The IUPAC name of 2-(dodecylamino)acetaldehyde (CID 19008509) is 2-(dodecylamino)acetaldehyde.
What is the SMILES notation for 2-(dodecylamino)acetaldehyde?
The canonical SMILES for 2-(dodecylamino)acetaldehyde is CCCCCCCCCCCCNCC=O.
What is the InChIKey of 2-(dodecylamino)acetaldehyde?
The InChIKey is OCTULVJMGFYJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16/h14-15H,2-13H2,1H3.
What are the key properties of 2-(dodecylamino)acetaldehyde?
2-(dodecylamino)acetaldehyde has a molecular weight of 227.39 g/mol, XLogP of 3.70, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dodecylamino)acetaldehyde is sourced from PubChem (CID 19008509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).