1,2,2,3-tetramethylperimidine-6,7-dicarbaldehyde

C17H18N2O2 — CID 622563

IUPAC1,2,2,3-tetramethylperimidine-6,7-dicarbaldehyde
SMILESCN1c2ccc(C=O)c3c(C=O)ccc(c23)N(C)C1(C)C
InChIInChI=1S/C17H18N2O2/c1-17(2)18(3)13-7-5-11(9-20)15-12(10-21)6-8-14(16(13)15)19(17)4/h5-10H,1-4H3
InChIKeyAOOHZDHSYHNXKM-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.09
Rot. Bonds2

About 1,2,2,3-tetramethylperimidine-6,7-dicarbaldehyde

1,2,2,3-tetramethylperimidine-6,7-dicarbaldehyde (PubChem CID 622563) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1,2,2,3-tetramethylperimidine-6,7-dicarbaldehyde.

Molecular Properties

Compound Name1,2,2,3-tetramethylperimidine-6,7-dicarbaldehyde
PubChem CID622563
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1,2,2,3-tetramethylperimidine-6,7-dicarbaldehyde
SMILESCN1c2ccc(C=O)c3c(C=O)ccc(c23)N(C)C1(C)C
InChIInChI=1S/C17H18N2O2/c1-17(2)18(3)13-7-5-11(9-20)15-12(10-21)6-8-14(16(13)15)19(17)4/h5-10H,1-4H3
InChIKeyAOOHZDHSYHNXKM-UHFFFAOYSA-N
XLogP3.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethylperimidine-6,7-dicarbaldehyde?
The IUPAC name of 1,2,2,3-tetramethylperimidine-6,7-dicarbaldehyde (CID 622563) is 1,2,2,3-tetramethylperimidine-6,7-dicarbaldehyde.
What is the SMILES notation for 1,2,2,3-tetramethylperimidine-6,7-dicarbaldehyde?
The canonical SMILES for 1,2,2,3-tetramethylperimidine-6,7-dicarbaldehyde is CN1c2ccc(C=O)c3c(C=O)ccc(c23)N(C)C1(C)C.
What is the InChIKey of 1,2,2,3-tetramethylperimidine-6,7-dicarbaldehyde?
The InChIKey is AOOHZDHSYHNXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-17(2)18(3)13-7-5-11(9-20)15-12(10-21)6-8-14(16(13)15)19(17)4/h5-10H,1-4H3.
What are the key properties of 1,2,2,3-tetramethylperimidine-6,7-dicarbaldehyde?
1,2,2,3-tetramethylperimidine-6,7-dicarbaldehyde has a molecular weight of 282.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethylperimidine-6,7-dicarbaldehyde is sourced from PubChem (CID 622563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).