1,4,7,10-Tetraazacyclododecane-1,7-dicarbaldehyde

C10H20N4O2 — CID 88945771

IUPAC1,4,7,10-tetrazacyclododecane-1,7-dicarbaldehyde
SMILESC1CN(CCNCCN(CCN1)C=O)C=O
InChIInChI=1S/C10H20N4O2/c15-9-13-5-1-11-2-6-14(10-16)8-4-12-3-7-13/h9-12H,1-8H2
InChIKeyMABVFQDRBDBNON-UHFFFAOYSA-N
MW228.29 g/mol
LogP-1.80
Rot. Bonds

About 1,4,7,10-Tetraazacyclododecane-1,7-dicarbaldehyde

1,4,7,10-Tetraazacyclododecane-1,7-dicarbaldehyde (PubChem CID 88945771) has the molecular formula C10H20N4O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1,4,7,10-tetrazacyclododecane-1,7-dicarbaldehyde.

Molecular Properties

Compound Name1,4,7,10-Tetraazacyclododecane-1,7-dicarbaldehyde
PubChem CID88945771
Molecular FormulaC10H20N4O2
Molecular Weight228.29 g/mol
Exact Mass228.16
IUPAC Name1,4,7,10-tetrazacyclododecane-1,7-dicarbaldehyde
SMILESC1CN(CCNCCN(CCN1)C=O)C=O
InChIInChI=1S/C10H20N4O2/c15-9-13-5-1-11-2-6-14(10-16)8-4-12-3-7-13/h9-12H,1-8H2
InChIKeyMABVFQDRBDBNON-UHFFFAOYSA-N
XLogP-1.80
TPSA64.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity179

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,4,7,10-Tetraazacyclododecane-1,7-dicarbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-Tetraazacyclododecane-1,7-dicarbaldehyde?
The IUPAC name of 1,4,7,10-Tetraazacyclododecane-1,7-dicarbaldehyde (CID 88945771) is 1,4,7,10-tetrazacyclododecane-1,7-dicarbaldehyde.
What is the SMILES notation for 1,4,7,10-Tetraazacyclododecane-1,7-dicarbaldehyde?
The canonical SMILES for 1,4,7,10-Tetraazacyclododecane-1,7-dicarbaldehyde is C1CN(CCNCCN(CCN1)C=O)C=O.
What is the InChIKey of 1,4,7,10-Tetraazacyclododecane-1,7-dicarbaldehyde?
The InChIKey is MABVFQDRBDBNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c15-9-13-5-1-11-2-6-14(10-16)8-4-12-3-7-13/h9-12H,1-8H2.
What are the key properties of 1,4,7,10-Tetraazacyclododecane-1,7-dicarbaldehyde?
1,4,7,10-Tetraazacyclododecane-1,7-dicarbaldehyde has a molecular weight of 228.29 g/mol, XLogP of -1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-Tetraazacyclododecane-1,7-dicarbaldehyde is sourced from PubChem (CID 88945771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).