2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine

C17H26N2 — CID 79686583

IUPAC2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine
SMILESNCCc1ccc(N2CC3(CCCCCC3)C2)cc1
InChIInChI=1S/C17H26N2/c18-12-9-15-5-7-16(8-6-15)19-13-17(14-19)10-3-1-2-4-11-17/h5-8H,1-4,9-14,18H2
InChIKeyFIGOMSNOCURBHM-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.35
Rot. Bonds3

About 2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine

2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine (PubChem CID 79686583) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine
PubChem CID79686583
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine
SMILESNCCc1ccc(N2CC3(CCCCCC3)C2)cc1
InChIInChI=1S/C17H26N2/c18-12-9-15-5-7-16(8-6-15)19-13-17(14-19)10-3-1-2-4-11-17/h5-8H,1-4,9-14,18H2
InChIKeyFIGOMSNOCURBHM-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine (CID 79686583) is 2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine is NCCc1ccc(N2CC3(CCCCCC3)C2)cc1.
What is the InChIKey of 2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine?
The InChIKey is FIGOMSNOCURBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c18-12-9-15-5-7-16(8-6-15)19-13-17(14-19)10-3-1-2-4-11-17/h5-8H,1-4,9-14,18H2.
What are the key properties of 2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine?
2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine has a molecular weight of 258.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-azaspiro[3.6]decan-2-yl)phenyl]ethanamine is sourced from PubChem (CID 79686583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).