3-(2-azaspiro[3.5]nonan-2-yl)aniline

C14H20N2 — CID 79689315

IUPAC3-(2-azaspiro[3.5]nonan-2-yl)aniline
SMILESNc1cccc(N2CC3(CCCCC3)C2)c1
InChIInChI=1S/C14H20N2/c15-12-5-4-6-13(9-12)16-10-14(11-16)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10-11,15H2
InChIKeyUMBXAXKHIWRUKC-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.04
Rot. Bonds1

About 3-(2-azaspiro[3.5]nonan-2-yl)aniline

3-(2-azaspiro[3.5]nonan-2-yl)aniline (PubChem CID 79689315) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-(2-azaspiro[3.5]nonan-2-yl)aniline.

Molecular Properties

Compound Name3-(2-azaspiro[3.5]nonan-2-yl)aniline
PubChem CID79689315
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-(2-azaspiro[3.5]nonan-2-yl)aniline
SMILESNc1cccc(N2CC3(CCCCC3)C2)c1
InChIInChI=1S/C14H20N2/c15-12-5-4-6-13(9-12)16-10-14(11-16)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10-11,15H2
InChIKeyUMBXAXKHIWRUKC-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.04
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 3-(2-azaspiro[3.5]nonan-2-yl)aniline?
The IUPAC name of 3-(2-azaspiro[3.5]nonan-2-yl)aniline (CID 79689315) is 3-(2-azaspiro[3.5]nonan-2-yl)aniline.
What is the SMILES notation for 3-(2-azaspiro[3.5]nonan-2-yl)aniline?
The canonical SMILES for 3-(2-azaspiro[3.5]nonan-2-yl)aniline is Nc1cccc(N2CC3(CCCCC3)C2)c1.
What is the InChIKey of 3-(2-azaspiro[3.5]nonan-2-yl)aniline?
The InChIKey is UMBXAXKHIWRUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-12-5-4-6-13(9-12)16-10-14(11-16)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10-11,15H2.
What are the key properties of 3-(2-azaspiro[3.5]nonan-2-yl)aniline?
3-(2-azaspiro[3.5]nonan-2-yl)aniline has a molecular weight of 216.33 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[3.5]nonan-2-yl)aniline is sourced from PubChem (CID 79689315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).