1,7-diazacyclododecane-1-carbaldehyde

C11H22N2O — CID 123495230

IUPAC1,7-diazacyclododecane-1-carbaldehyde
SMILESO=CN1CCCCCNCCCCC1
InChIInChI=1S/C11H22N2O/c14-11-13-9-5-1-3-7-12-8-4-2-6-10-13/h11-12H,1-10H2
InChIKeyUIFKMPJIANDQDP-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.39
Rot. Bonds1

About 1,7-diazacyclododecane-1-carbaldehyde

1,7-diazacyclododecane-1-carbaldehyde (PubChem CID 123495230) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,7-diazacyclododecane-1-carbaldehyde.

Molecular Properties

Compound Name1,7-diazacyclododecane-1-carbaldehyde
PubChem CID123495230
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1,7-diazacyclododecane-1-carbaldehyde
SMILESO=CN1CCCCCNCCCCC1
InChIInChI=1S/C11H22N2O/c14-11-13-9-5-1-3-7-12-8-4-2-6-10-13/h11-12H,1-10H2
InChIKeyUIFKMPJIANDQDP-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,4,7,10-tetrazacyclododecane-1,7-dicarbaldehyde
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1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarbaldehyde
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ethane;piperidine-1-carbaldehyde;propane
CID 170585838
piperidine-1-carbaldehyde;prop-1-ene
CID 145368604
azacyclotriacontane
CID 57238597
azepane;piperidine
CID 67415778
azacycloheptadecane
CID 22627811
1,8,15,22-tetrazacyclooctacosane
CID 15722579
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
CID 71376561
tert-butyl piperazine-1-carboxylate;piperidine-1-carbaldehyde
CID 144843381

Frequently Asked Questions

What is the IUPAC name of 1,7-diazacyclododecane-1-carbaldehyde?
The IUPAC name of 1,7-diazacyclododecane-1-carbaldehyde (CID 123495230) is 1,7-diazacyclododecane-1-carbaldehyde.
What is the SMILES notation for 1,7-diazacyclododecane-1-carbaldehyde?
The canonical SMILES for 1,7-diazacyclododecane-1-carbaldehyde is O=CN1CCCCCNCCCCC1.
What is the InChIKey of 1,7-diazacyclododecane-1-carbaldehyde?
The InChIKey is UIFKMPJIANDQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c14-11-13-9-5-1-3-7-12-8-4-2-6-10-13/h11-12H,1-10H2.
What are the key properties of 1,7-diazacyclododecane-1-carbaldehyde?
1,7-diazacyclododecane-1-carbaldehyde has a molecular weight of 198.31 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diazacyclododecane-1-carbaldehyde is sourced from PubChem (CID 123495230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).