N-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C9H16F3N3O — CID 63710761

IUPACN-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESNCCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)8(2-5-14-6-8)7(16)15-4-1-3-13/h14H,1-6,13H2,(H,15,16)
InChIKeyNKOWTJRKZLCZDH-UHFFFAOYSA-N
MW239.24 g/mol
LogP-0.01
Rot. Bonds4

About N-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710761) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710761
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC NameN-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESNCCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H16F3N3O/c10-9(11,12)8(2-5-14-6-8)7(16)15-4-1-3-13/h14H,1-6,13H2,(H,15,16)
InChIKeyNKOWTJRKZLCZDH-UHFFFAOYSA-N
XLogP-0.01
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710761) is N-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is NCCCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is NKOWTJRKZLCZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c10-9(11,12)8(2-5-14-6-8)7(16)15-4-1-3-13/h14H,1-6,13H2,(H,15,16).
What are the key properties of N-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 239.24 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).