1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine

C17H25N3 — CID 79726521

IUPAC1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NC1CCN2CCCCC12
InChIInChI=1S/C17H25N3/c18-13-5-6-14-12(11-13)4-7-15(14)19-16-8-10-20-9-2-1-3-17(16)20/h5-6,11,15-17,19H,1-4,7-10,18H2
InChIKeyDDJRWBPVKXSUIO-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.47
Rot. Bonds2

About 1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79726521) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79726521
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NC1CCN2CCCCC12
InChIInChI=1S/C17H25N3/c18-13-5-6-14-12(11-13)4-7-15(14)19-16-8-10-20-9-2-1-3-17(16)20/h5-6,11,15-17,19H,1-4,7-10,18H2
InChIKeyDDJRWBPVKXSUIO-UHFFFAOYSA-N
XLogP2.47
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79726521) is 1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2NC1CCN2CCCCC12.
What is the InChIKey of 1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is DDJRWBPVKXSUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c18-13-5-6-14-12(11-13)4-7-15(14)19-16-8-10-20-9-2-1-3-17(16)20/h5-6,11,15-17,19H,1-4,7-10,18H2.
What are the key properties of 1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 271.41 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79726521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).