3-amino-N-[1-(trifluoromethyl)cyclopropyl]pentanamide

C9H15F3N2O — CID 106213308

IUPAC3-amino-N-[1-(trifluoromethyl)cyclopropyl]pentanamide
SMILESCCC(N)CC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c1-2-6(13)5-7(15)14-8(3-4-8)9(10,11)12/h6H,2-5,13H2,1H3,(H,14,15)
InChIKeyNLIYWAULEVPWOL-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.32
Rot. Bonds4

About 3-amino-N-[1-(trifluoromethyl)cyclopropyl]pentanamide

3-amino-N-[1-(trifluoromethyl)cyclopropyl]pentanamide (PubChem CID 106213308) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-amino-N-[1-(trifluoromethyl)cyclopropyl]pentanamide.

Molecular Properties

Compound Name3-amino-N-[1-(trifluoromethyl)cyclopropyl]pentanamide
PubChem CID106213308
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name3-amino-N-[1-(trifluoromethyl)cyclopropyl]pentanamide
SMILESCCC(N)CC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c1-2-6(13)5-7(15)14-8(3-4-8)9(10,11)12/h6H,2-5,13H2,1H3,(H,14,15)
InChIKeyNLIYWAULEVPWOL-UHFFFAOYSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(trifluoromethyl)cyclopropyl]pentanamide?
The IUPAC name of 3-amino-N-[1-(trifluoromethyl)cyclopropyl]pentanamide (CID 106213308) is 3-amino-N-[1-(trifluoromethyl)cyclopropyl]pentanamide.
What is the SMILES notation for 3-amino-N-[1-(trifluoromethyl)cyclopropyl]pentanamide?
The canonical SMILES for 3-amino-N-[1-(trifluoromethyl)cyclopropyl]pentanamide is CCC(N)CC(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 3-amino-N-[1-(trifluoromethyl)cyclopropyl]pentanamide?
The InChIKey is NLIYWAULEVPWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-2-6(13)5-7(15)14-8(3-4-8)9(10,11)12/h6H,2-5,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-[1-(trifluoromethyl)cyclopropyl]pentanamide?
3-amino-N-[1-(trifluoromethyl)cyclopropyl]pentanamide has a molecular weight of 224.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(trifluoromethyl)cyclopropyl]pentanamide is sourced from PubChem (CID 106213308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).