3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]pentanamide

C10H17F3N2O — CID 106213384

IUPAC3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]pentanamide
SMILESCC(C)C(N)CC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-6(2)7(14)5-8(16)15-9(3-4-9)10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyIJKFYQLYIVJOPM-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.57
Rot. Bonds4

About 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]pentanamide

3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]pentanamide (PubChem CID 106213384) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]pentanamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]pentanamide
PubChem CID106213384
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]pentanamide
SMILESCC(C)C(N)CC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-6(2)7(14)5-8(16)15-9(3-4-9)10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyIJKFYQLYIVJOPM-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]pentanamide?
The IUPAC name of 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]pentanamide (CID 106213384) is 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]pentanamide.
What is the SMILES notation for 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]pentanamide?
The canonical SMILES for 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]pentanamide is CC(C)C(N)CC(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]pentanamide?
The InChIKey is IJKFYQLYIVJOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-6(2)7(14)5-8(16)15-9(3-4-9)10(11,12)13/h6-7H,3-5,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]pentanamide?
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]pentanamide has a molecular weight of 238.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]pentanamide is sourced from PubChem (CID 106213384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).