azacycloheptadecane

C16H33N — CID 22627811

IUPACazacycloheptadecane
SMILESC1CCCCCCCCNCCCCCCC1
InChIInChI=1S/C16H33N/c1-2-4-6-8-10-12-14-16-17-15-13-11-9-7-5-3-1/h17H,1-16H2
InChIKeyTZMYTBFJOAVOHS-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.05
Rot. Bonds

About azacycloheptadecane

azacycloheptadecane (PubChem CID 22627811) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is azacycloheptadecane.

Molecular Properties

Compound Nameazacycloheptadecane
PubChem CID22627811
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Nameazacycloheptadecane
SMILESC1CCCCCCCCNCCCCCCC1
InChIInChI=1S/C16H33N/c1-2-4-6-8-10-12-14-16-17-15-13-11-9-7-5-3-1/h17H,1-16H2
InChIKeyTZMYTBFJOAVOHS-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azepane;piperidine
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azacyclotriacontane
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1,4,11,14-tetrazacycloicosane
CID 10989751
λ2-plumbane;piperidine
CID 174691301
hydron;piperidine;bromide
CID 21435933
bis(piperidine);hydrate;tetrahydrochloride
CID 67752585
magnesium;piperidine;bromide
CID 173330066
lithium;azacycloundecane;hydride
CID 175005284

Frequently Asked Questions

What is the IUPAC name of azacycloheptadecane?
The IUPAC name of azacycloheptadecane (CID 22627811) is azacycloheptadecane.
What is the SMILES notation for azacycloheptadecane?
The canonical SMILES for azacycloheptadecane is C1CCCCCCCCNCCCCCCC1.
What is the InChIKey of azacycloheptadecane?
The InChIKey is TZMYTBFJOAVOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-2-4-6-8-10-12-14-16-17-15-13-11-9-7-5-3-1/h17H,1-16H2.
What are the key properties of azacycloheptadecane?
azacycloheptadecane has a molecular weight of 239.45 g/mol, XLogP of 5.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azacycloheptadecane is sourced from PubChem (CID 22627811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).