2-(2-azaspiro[3.6]decan-2-yl)aniline

C15H22N2 — CID 79678213

IUPAC2-(2-azaspiro[3.6]decan-2-yl)aniline
SMILESNc1ccccc1N1CC2(CCCCCC2)C1
InChIInChI=1S/C15H22N2/c16-13-7-3-4-8-14(13)17-11-15(12-17)9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-12,16H2
InChIKeyUZOCJQKEVNWSRS-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.43
Rot. Bonds1

About 2-(2-azaspiro[3.6]decan-2-yl)aniline

2-(2-azaspiro[3.6]decan-2-yl)aniline (PubChem CID 79678213) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(2-azaspiro[3.6]decan-2-yl)aniline.

Molecular Properties

Compound Name2-(2-azaspiro[3.6]decan-2-yl)aniline
PubChem CID79678213
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-(2-azaspiro[3.6]decan-2-yl)aniline
SMILESNc1ccccc1N1CC2(CCCCCC2)C1
InChIInChI=1S/C15H22N2/c16-13-7-3-4-8-14(13)17-11-15(12-17)9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-12,16H2
InChIKeyUZOCJQKEVNWSRS-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.43
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-(2-azaspiro[3.6]decan-2-yl)aniline?
The IUPAC name of 2-(2-azaspiro[3.6]decan-2-yl)aniline (CID 79678213) is 2-(2-azaspiro[3.6]decan-2-yl)aniline.
What is the SMILES notation for 2-(2-azaspiro[3.6]decan-2-yl)aniline?
The canonical SMILES for 2-(2-azaspiro[3.6]decan-2-yl)aniline is Nc1ccccc1N1CC2(CCCCCC2)C1.
What is the InChIKey of 2-(2-azaspiro[3.6]decan-2-yl)aniline?
The InChIKey is UZOCJQKEVNWSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-13-7-3-4-8-14(13)17-11-15(12-17)9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-12,16H2.
What are the key properties of 2-(2-azaspiro[3.6]decan-2-yl)aniline?
2-(2-azaspiro[3.6]decan-2-yl)aniline has a molecular weight of 230.35 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.6]decan-2-yl)aniline is sourced from PubChem (CID 79678213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).