2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline

C13H18N2 — CID 79689231

IUPAC2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline
SMILESNc1ccccc1CN1CC2(CCC2)C1
InChIInChI=1S/C13H18N2/c14-12-5-2-1-4-11(12)8-15-9-13(10-15)6-3-7-13/h1-2,4-5H,3,6-10,14H2
InChIKeyIIYUEOFTEBNNPK-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.25
Rot. Bonds2

About 2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline

2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline (PubChem CID 79689231) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline
PubChem CID79689231
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline
SMILESNc1ccccc1CN1CC2(CCC2)C1
InChIInChI=1S/C13H18N2/c14-12-5-2-1-4-11(12)8-15-9-13(10-15)6-3-7-13/h1-2,4-5H,3,6-10,14H2
InChIKeyIIYUEOFTEBNNPK-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.25
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[3.3]heptan-2-ylmethyl)aniline?
The IUPAC name of 2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline (CID 79689231) is 2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline.
What is the SMILES notation for 2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline?
The canonical SMILES for 2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline is Nc1ccccc1CN1CC2(CCC2)C1.
What is the InChIKey of 2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline?
The InChIKey is IIYUEOFTEBNNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-12-5-2-1-4-11(12)8-15-9-13(10-15)6-3-7-13/h1-2,4-5H,3,6-10,14H2.
What are the key properties of 2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline?
2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline has a molecular weight of 202.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.3]heptan-2-ylmethyl)aniline is sourced from PubChem (CID 79689231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).