2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide

C11H21F3N2O — CID 113327482

IUPAC2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide
SMILESCCC(C)C(N)C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-3-8(2)9(15)10(17)16-7-5-4-6-11(12,13)14/h8-9H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyZXQVOPXQPOSMJA-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.21
Rot. Bonds7

About 2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide

2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide (PubChem CID 113327482) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide
PubChem CID113327482
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide
SMILESCCC(C)C(N)C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-3-8(2)9(15)10(17)16-7-5-4-6-11(12,13)14/h8-9H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyZXQVOPXQPOSMJA-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.21
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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Related Compounds

(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
(2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519316
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059
7-[[(2S)-2-amino-3-methylpentanoyl]amino]heptanoic acid
CID 61172355
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-amino-3-methyl-N-(3-methylsulfinylpropyl)pentanamide
CID 115739288
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175335
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
2-[(2-amino-3-methylpentanoyl)amino]ethanesulfonic acid
CID 23189977

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide (CID 113327482) is 2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide is CCC(C)C(N)C(=O)NCCCCC(F)(F)F.
What is the InChIKey of 2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide?
The InChIKey is ZXQVOPXQPOSMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-3-8(2)9(15)10(17)16-7-5-4-6-11(12,13)14/h8-9H,3-7,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide?
2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide has a molecular weight of 254.30 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide is sourced from PubChem (CID 113327482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).