5-tert-butyl-1,3,5-triazinane-1,3-dicarbaldehyde

C9H17N3O2 — CID 550706

IUPAC5-tert-butyl-1,3,5-triazinane-1,3-dicarbaldehyde
SMILESCC(C)(C)N1CN(C=O)CN(C=O)C1
InChIInChI=1S/C9H17N3O2/c1-9(2,3)12-5-10(7-13)4-11(6-12)8-14/h7-8H,4-6H2,1-3H3
InChIKeyQFMSPNVQZLQZMX-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.11
Rot. Bonds2

About 5-tert-butyl-1,3,5-triazinane-1,3-dicarbaldehyde

5-tert-butyl-1,3,5-triazinane-1,3-dicarbaldehyde (PubChem CID 550706) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-tert-butyl-1,3,5-triazinane-1,3-dicarbaldehyde.

Molecular Properties

Compound Name5-tert-butyl-1,3,5-triazinane-1,3-dicarbaldehyde
PubChem CID550706
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name5-tert-butyl-1,3,5-triazinane-1,3-dicarbaldehyde
SMILESCC(C)(C)N1CN(C=O)CN(C=O)C1
InChIInChI=1S/C9H17N3O2/c1-9(2,3)12-5-10(7-13)4-11(6-12)8-14/h7-8H,4-6H2,1-3H3
InChIKeyQFMSPNVQZLQZMX-UHFFFAOYSA-N
XLogP-0.11
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-Ditert-butyl-1,3,5-triazinane-1-carbaldehyde
CID 14638327
5-tert-Butyl-1,3-dimethyl-1,3,5-triazinan-2-one
CID 12397332
1-Tert-butyl-3,5-diethyl-1,3,5-triazinane-2,4,6-trione
CID 70667200
1-Tert-butyl-3-ethyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione
CID 91552240
1,3-Bis(methoxymethyl)-5-propan-2-yl-1,3,5-triazinan-2-one
CID 117973423
1-Tert-butyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
CID 118583294
1,3-Ditert-butyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 146631123
1-Tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 149302621
1,3,5-Tritert-butyl-6-hydroxy-1,3,5-triazinane-2,4-dione
CID 164822473
1,3-Ditert-butyl-5-propan-2-yl-1,3,5-triazinane-2,4,6-trione
CID 169687612
5-Tert-butyl-1,3-diethyl-1,3,5-triazinan-2-one
CID 15122837
1,3,5-Tritert-butyl-1,3,5-triazinan-2-one
CID 24974965

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3,5-triazinane-1,3-dicarbaldehyde?
The IUPAC name of 5-tert-butyl-1,3,5-triazinane-1,3-dicarbaldehyde (CID 550706) is 5-tert-butyl-1,3,5-triazinane-1,3-dicarbaldehyde.
What is the SMILES notation for 5-tert-butyl-1,3,5-triazinane-1,3-dicarbaldehyde?
The canonical SMILES for 5-tert-butyl-1,3,5-triazinane-1,3-dicarbaldehyde is CC(C)(C)N1CN(C=O)CN(C=O)C1.
What is the InChIKey of 5-tert-butyl-1,3,5-triazinane-1,3-dicarbaldehyde?
The InChIKey is QFMSPNVQZLQZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-9(2,3)12-5-10(7-13)4-11(6-12)8-14/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-tert-butyl-1,3,5-triazinane-1,3-dicarbaldehyde?
5-tert-butyl-1,3,5-triazinane-1,3-dicarbaldehyde has a molecular weight of 199.25 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3,5-triazinane-1,3-dicarbaldehyde is sourced from PubChem (CID 550706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).