3-cyclodecyldiazecane-3-carboxylic acid

C19H36N2O2 — CID 150459490

IUPAC3-cyclodecyldiazecane-3-carboxylic acid
SMILESO=C(O)C1(C2CCCCCCCCC2)CCCCCCCNN1
InChIInChI=1S/C19H36N2O2/c22-18(23)19(15-11-7-4-8-12-16-20-21-19)17-13-9-5-2-1-3-6-10-14-17/h17,20-21H,1-16H2,(H,22,23)
InChIKeyHPMHVYOFZAODQR-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.40
Rot. Bonds2

About 3-cyclodecyldiazecane-3-carboxylic acid

3-cyclodecyldiazecane-3-carboxylic acid (PubChem CID 150459490) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 3-cyclodecyldiazecane-3-carboxylic acid.

Molecular Properties

Compound Name3-cyclodecyldiazecane-3-carboxylic acid
PubChem CID150459490
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name3-cyclodecyldiazecane-3-carboxylic acid
SMILESO=C(O)C1(C2CCCCCCCCC2)CCCCCCCNN1
InChIInChI=1S/C19H36N2O2/c22-18(23)19(15-11-7-4-8-12-16-20-21-19)17-13-9-5-2-1-3-6-10-14-17/h17,20-21H,1-16H2,(H,22,23)
InChIKeyHPMHVYOFZAODQR-UHFFFAOYSA-N
XLogP4.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclodecyldiazecane-3-carboxylic acid?
The IUPAC name of 3-cyclodecyldiazecane-3-carboxylic acid (CID 150459490) is 3-cyclodecyldiazecane-3-carboxylic acid.
What is the SMILES notation for 3-cyclodecyldiazecane-3-carboxylic acid?
The canonical SMILES for 3-cyclodecyldiazecane-3-carboxylic acid is O=C(O)C1(C2CCCCCCCCC2)CCCCCCCNN1.
What is the InChIKey of 3-cyclodecyldiazecane-3-carboxylic acid?
The InChIKey is HPMHVYOFZAODQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c22-18(23)19(15-11-7-4-8-12-16-20-21-19)17-13-9-5-2-1-3-6-10-14-17/h17,20-21H,1-16H2,(H,22,23).
What are the key properties of 3-cyclodecyldiazecane-3-carboxylic acid?
3-cyclodecyldiazecane-3-carboxylic acid has a molecular weight of 324.51 g/mol, XLogP of 4.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclodecyldiazecane-3-carboxylic acid is sourced from PubChem (CID 150459490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).