2-(2-azaspiro[3.3]heptan-2-yl)-4-methylaniline

C13H18N2 — CID 112557833

IUPAC2-(2-azaspiro[3.3]heptan-2-yl)-4-methylaniline
SMILESCc1ccc(N)c(N2CC3(CCC3)C2)c1
InChIInChI=1S/C13H18N2/c1-10-3-4-11(14)12(7-10)15-8-13(9-15)5-2-6-13/h3-4,7H,2,5-6,8-9,14H2,1H3
InChIKeyRQPCQPNQBYRUNZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.57
Rot. Bonds1

About 2-(2-azaspiro[3.3]heptan-2-yl)-4-methylaniline

2-(2-azaspiro[3.3]heptan-2-yl)-4-methylaniline (PubChem CID 112557833) 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-yl)-4-methylaniline.

Molecular Properties

Compound Name2-(2-azaspiro[3.3]heptan-2-yl)-4-methylaniline
PubChem CID112557833
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-(2-azaspiro[3.3]heptan-2-yl)-4-methylaniline
SMILESCc1ccc(N)c(N2CC3(CCC3)C2)c1
InChIInChI=1S/C13H18N2/c1-10-3-4-11(14)12(7-10)15-8-13(9-15)5-2-6-13/h3-4,7H,2,5-6,8-9,14H2,1H3
InChIKeyRQPCQPNQBYRUNZ-UHFFFAOYSA-N
XLogP2.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.57
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-yl)-4-methylaniline?
The IUPAC name of 2-(2-azaspiro[3.3]heptan-2-yl)-4-methylaniline (CID 112557833) is 2-(2-azaspiro[3.3]heptan-2-yl)-4-methylaniline.
What is the SMILES notation for 2-(2-azaspiro[3.3]heptan-2-yl)-4-methylaniline?
The canonical SMILES for 2-(2-azaspiro[3.3]heptan-2-yl)-4-methylaniline is Cc1ccc(N)c(N2CC3(CCC3)C2)c1.
What is the InChIKey of 2-(2-azaspiro[3.3]heptan-2-yl)-4-methylaniline?
The InChIKey is RQPCQPNQBYRUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-3-4-11(14)12(7-10)15-8-13(9-15)5-2-6-13/h3-4,7H,2,5-6,8-9,14H2,1H3.
What are the key properties of 2-(2-azaspiro[3.3]heptan-2-yl)-4-methylaniline?
2-(2-azaspiro[3.3]heptan-2-yl)-4-methylaniline has a molecular weight of 202.30 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.3]heptan-2-yl)-4-methylaniline is sourced from PubChem (CID 112557833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).