2-[(2,4,6-trimethyl-1,3,5-triazinan-2-yl)amino]acetaldehyde

C8H18N4O — CID 57073300

IUPAC2-[(2,4,6-trimethyl-1,3,5-triazinan-2-yl)amino]acetaldehyde
SMILESCC1NC(C)NC(C)(NCC=O)N1
InChIInChI=1S/C8H18N4O/c1-6-10-7(2)12-8(3,11-6)9-4-5-13/h5-7,9-12H,4H2,1-3H3
InChIKeyTZTACAYQVMGFSX-UHFFFAOYSA-N
MW186.26 g/mol
LogP-1.08
Rot. Bonds3

About 2-[(2,4,6-trimethyl-1,3,5-triazinan-2-yl)amino]acetaldehyde

2-[(2,4,6-trimethyl-1,3,5-triazinan-2-yl)amino]acetaldehyde (PubChem CID 57073300) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[(2,4,6-trimethyl-1,3,5-triazinan-2-yl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[(2,4,6-trimethyl-1,3,5-triazinan-2-yl)amino]acetaldehyde
PubChem CID57073300
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name2-[(2,4,6-trimethyl-1,3,5-triazinan-2-yl)amino]acetaldehyde
SMILESCC1NC(C)NC(C)(NCC=O)N1
InChIInChI=1S/C8H18N4O/c1-6-10-7(2)12-8(3,11-6)9-4-5-13/h5-7,9-12H,4H2,1-3H3
InChIKeyTZTACAYQVMGFSX-UHFFFAOYSA-N
XLogP-1.08
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[(2,4,6-trimethyl-1,3,5-triazinan-2-yl)amino]acetaldehyde?
The IUPAC name of 2-[(2,4,6-trimethyl-1,3,5-triazinan-2-yl)amino]acetaldehyde (CID 57073300) is 2-[(2,4,6-trimethyl-1,3,5-triazinan-2-yl)amino]acetaldehyde.
What is the SMILES notation for 2-[(2,4,6-trimethyl-1,3,5-triazinan-2-yl)amino]acetaldehyde?
The canonical SMILES for 2-[(2,4,6-trimethyl-1,3,5-triazinan-2-yl)amino]acetaldehyde is CC1NC(C)NC(C)(NCC=O)N1.
What is the InChIKey of 2-[(2,4,6-trimethyl-1,3,5-triazinan-2-yl)amino]acetaldehyde?
The InChIKey is TZTACAYQVMGFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-6-10-7(2)12-8(3,11-6)9-4-5-13/h5-7,9-12H,4H2,1-3H3.
What are the key properties of 2-[(2,4,6-trimethyl-1,3,5-triazinan-2-yl)amino]acetaldehyde?
2-[(2,4,6-trimethyl-1,3,5-triazinan-2-yl)amino]acetaldehyde has a molecular weight of 186.26 g/mol, XLogP of -1.08, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trimethyl-1,3,5-triazinan-2-yl)amino]acetaldehyde is sourced from PubChem (CID 57073300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).