2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline

C15H21ClN2 — CID 104834515

IUPAC2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline
SMILESNc1c(Cl)cccc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C15H21ClN2/c16-12-4-3-5-13(14(12)17)18-10-8-15(9-11-18)6-1-2-7-15/h3-5H,1-2,6-11,17H2
InChIKeyAQCAOULLUUXBEU-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.08
Rot. Bonds1

About 2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline

2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline (PubChem CID 104834515) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline
PubChem CID104834515
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline
SMILESNc1c(Cl)cccc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C15H21ClN2/c16-12-4-3-5-13(14(12)17)18-10-8-15(9-11-18)6-1-2-7-15/h3-5H,1-2,6-11,17H2
InChIKeyAQCAOULLUUXBEU-UHFFFAOYSA-N
XLogP4.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline (CID 104834515) is 2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline is Nc1c(Cl)cccc1N1CCC2(CCCC2)CC1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline?
The InChIKey is AQCAOULLUUXBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c16-12-4-3-5-13(14(12)17)18-10-8-15(9-11-18)6-1-2-7-15/h3-5H,1-2,6-11,17H2.
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline?
2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline has a molecular weight of 264.80 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-yl)-6-chloroaniline is sourced from PubChem (CID 104834515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).