4-[1-(5-chloronaphthalen-1-yl)ethyl]azonane

C20H26ClN — CID 143126857

IUPAC4-[1-(5-chloronaphthalen-1-yl)ethyl]azonane
SMILESCC(c1cccc2c(Cl)cccc12)C1CCCCCNCC1
InChIInChI=1S/C20H26ClN/c1-15(16-7-3-2-4-13-22-14-12-16)17-8-5-10-19-18(17)9-6-11-20(19)21/h5-6,8-11,15-16,22H,2-4,7,12-14H2,1H3
InChIKeyMMQDERFRRRYSST-UHFFFAOYSA-N
MW315.89 g/mol
LogP5.77
Rot. Bonds2

About 4-[1-(5-chloronaphthalen-1-yl)ethyl]azonane

4-[1-(5-chloronaphthalen-1-yl)ethyl]azonane (PubChem CID 143126857) has the molecular formula C20H26ClN and a molecular weight of 315.89 g/mol. Its IUPAC name is 4-[1-(5-chloronaphthalen-1-yl)ethyl]azonane.

Molecular Properties

Compound Name4-[1-(5-chloronaphthalen-1-yl)ethyl]azonane
PubChem CID143126857
Molecular FormulaC20H26ClN
Molecular Weight315.89 g/mol
Exact Mass315.18
IUPAC Name4-[1-(5-chloronaphthalen-1-yl)ethyl]azonane
SMILESCC(c1cccc2c(Cl)cccc12)C1CCCCCNCC1
InChIInChI=1S/C20H26ClN/c1-15(16-7-3-2-4-13-22-14-12-16)17-8-5-10-19-18(17)9-6-11-20(19)21/h5-6,8-11,15-16,22H,2-4,7,12-14H2,1H3
InChIKeyMMQDERFRRRYSST-UHFFFAOYSA-N
XLogP5.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.89
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chloronaphthalen-1-yl)ethyl]azonane?
The IUPAC name of 4-[1-(5-chloronaphthalen-1-yl)ethyl]azonane (CID 143126857) is 4-[1-(5-chloronaphthalen-1-yl)ethyl]azonane.
What is the SMILES notation for 4-[1-(5-chloronaphthalen-1-yl)ethyl]azonane?
The canonical SMILES for 4-[1-(5-chloronaphthalen-1-yl)ethyl]azonane is CC(c1cccc2c(Cl)cccc12)C1CCCCCNCC1.
What is the InChIKey of 4-[1-(5-chloronaphthalen-1-yl)ethyl]azonane?
The InChIKey is MMQDERFRRRYSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN/c1-15(16-7-3-2-4-13-22-14-12-16)17-8-5-10-19-18(17)9-6-11-20(19)21/h5-6,8-11,15-16,22H,2-4,7,12-14H2,1H3.
What are the key properties of 4-[1-(5-chloronaphthalen-1-yl)ethyl]azonane?
4-[1-(5-chloronaphthalen-1-yl)ethyl]azonane has a molecular weight of 315.89 g/mol, XLogP of 5.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chloronaphthalen-1-yl)ethyl]azonane is sourced from PubChem (CID 143126857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).