N-pentyl-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

C14H23F3N2O — CID 66776213

IUPACN-pentyl-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCCCCCNC(=O)C1C2CN(CCC(F)(F)F)CC21
InChIInChI=1S/C14H23F3N2O/c1-2-3-4-6-18-13(20)12-10-8-19(9-11(10)12)7-5-14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20)
InChIKeyBRIUGUBZTJJQJM-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.42
Rot. Bonds7

About N-pentyl-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

N-pentyl-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 66776213) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is N-pentyl-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-pentyl-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID66776213
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC NameN-pentyl-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCCCCCNC(=O)C1C2CN(CCC(F)(F)F)CC21
InChIInChI=1S/C14H23F3N2O/c1-2-3-4-6-18-13(20)12-10-8-19(9-11(10)12)7-5-14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20)
InChIKeyBRIUGUBZTJJQJM-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-pentyl-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 66776213) is N-pentyl-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-pentyl-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-pentyl-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is CCCCCNC(=O)C1C2CN(CCC(F)(F)F)CC21.
What is the InChIKey of N-pentyl-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is BRIUGUBZTJJQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-2-3-4-6-18-13(20)12-10-8-19(9-11(10)12)7-5-14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20).
What are the key properties of N-pentyl-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
N-pentyl-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 66776213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).