5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide

C14H21FN2O — CID 70974424

IUPAC5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide
SMILESNCCCCC(=O)NC1=CCC2CC(F)CC2=C1
InChIInChI=1S/C14H21FN2O/c15-12-7-10-4-5-13(9-11(10)8-12)17-14(18)3-1-2-6-16/h5,9-10,12H,1-4,6-8,16H2,(H,17,18)
InChIKeyWJGNTNAPDHWDNZ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.19
Rot. Bonds5

About 5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide

5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide (PubChem CID 70974424) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide.

Molecular Properties

Compound Name5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide
PubChem CID70974424
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide
SMILESNCCCCC(=O)NC1=CCC2CC(F)CC2=C1
InChIInChI=1S/C14H21FN2O/c15-12-7-10-4-5-13(9-11(10)8-12)17-14(18)3-1-2-6-16/h5,9-10,12H,1-4,6-8,16H2,(H,17,18)
InChIKeyWJGNTNAPDHWDNZ-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide?
The IUPAC name of 5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide (CID 70974424) is 5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide.
What is the SMILES notation for 5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide?
The canonical SMILES for 5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide is NCCCCC(=O)NC1=CCC2CC(F)CC2=C1.
What is the InChIKey of 5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide?
The InChIKey is WJGNTNAPDHWDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c15-12-7-10-4-5-13(9-11(10)8-12)17-14(18)3-1-2-6-16/h5,9-10,12H,1-4,6-8,16H2,(H,17,18).
What are the key properties of 5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide?
5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide has a molecular weight of 252.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide is sourced from PubChem (CID 70974424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).