4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline

C14H20N2 — CID 117274103

IUPAC4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline
SMILESNc1ccc(C23CCCCN2CCC3)cc1
InChIInChI=1S/C14H20N2/c15-13-6-4-12(5-7-13)14-8-1-2-10-16(14)11-3-9-14/h4-7H,1-3,8-11,15H2
InChIKeyWUUNIVCFHMGZHP-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.74
Rot. Bonds1

About 4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline

4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline (PubChem CID 117274103) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline.

Molecular Properties

Compound Name4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline
PubChem CID117274103
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline
SMILESNc1ccc(C23CCCCN2CCC3)cc1
InChIInChI=1S/C14H20N2/c15-13-6-4-12(5-7-13)14-8-1-2-10-16(14)11-3-9-14/h4-7H,1-3,8-11,15H2
InChIKeyWUUNIVCFHMGZHP-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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 4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline?
The IUPAC name of 4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline (CID 117274103) is 4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline.
What is the SMILES notation for 4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline?
The canonical SMILES for 4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline is Nc1ccc(C23CCCCN2CCC3)cc1.
What is the InChIKey of 4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline?
The InChIKey is WUUNIVCFHMGZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c15-13-6-4-12(5-7-13)14-8-1-2-10-16(14)11-3-9-14/h4-7H,1-3,8-11,15H2.
What are the key properties of 4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline?
4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline has a molecular weight of 216.33 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl)aniline is sourced from PubChem (CID 117274103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).