2-(1,4,7,10-tetrazacyclododec-1-yl)acetaldehyde

C10H22N4O — CID 11074764

IUPAC2-(1,4,7,10-tetrazacyclododec-1-yl)acetaldehyde
SMILESO=CCN1CCNCCNCCNCC1
InChIInChI=1S/C10H22N4O/c15-10-9-14-7-5-12-3-1-11-2-4-13-6-8-14/h10-13H,1-9H2
InChIKeyLVLAZCPXVAKZQK-UHFFFAOYSA-N
MW214.31 g/mol
LogP-1.73
Rot. Bonds2

About 2-(1,4,7,10-tetrazacyclododec-1-yl)acetaldehyde

2-(1,4,7,10-tetrazacyclododec-1-yl)acetaldehyde (PubChem CID 11074764) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(1,4,7,10-tetrazacyclododec-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1,4,7,10-tetrazacyclododec-1-yl)acetaldehyde
PubChem CID11074764
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-(1,4,7,10-tetrazacyclododec-1-yl)acetaldehyde
SMILESO=CCN1CCNCCNCCNCC1
InChIInChI=1S/C10H22N4O/c15-10-9-14-7-5-12-3-1-11-2-4-13-6-8-14/h10-13H,1-9H2
InChIKeyLVLAZCPXVAKZQK-UHFFFAOYSA-N
XLogP-1.73
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
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-(1,4,7,10-tetrazacyclododec-1-yl)acetaldehyde?
The IUPAC name of 2-(1,4,7,10-tetrazacyclododec-1-yl)acetaldehyde (CID 11074764) is 2-(1,4,7,10-tetrazacyclododec-1-yl)acetaldehyde.
What is the SMILES notation for 2-(1,4,7,10-tetrazacyclododec-1-yl)acetaldehyde?
The canonical SMILES for 2-(1,4,7,10-tetrazacyclododec-1-yl)acetaldehyde is O=CCN1CCNCCNCCNCC1.
What is the InChIKey of 2-(1,4,7,10-tetrazacyclododec-1-yl)acetaldehyde?
The InChIKey is LVLAZCPXVAKZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c15-10-9-14-7-5-12-3-1-11-2-4-13-6-8-14/h10-13H,1-9H2.
What are the key properties of 2-(1,4,7,10-tetrazacyclododec-1-yl)acetaldehyde?
2-(1,4,7,10-tetrazacyclododec-1-yl)acetaldehyde has a molecular weight of 214.31 g/mol, XLogP of -1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,7,10-tetrazacyclododec-1-yl)acetaldehyde is sourced from PubChem (CID 11074764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).