2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide

C11H21F3N2O — CID 54871708

IUPAC2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(N)C(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-4-5-9(15)10(17)16(6-8(2)3)7-11(12,13)14/h8-9H,4-7,15H2,1-3H3
InChIKeyKARZXBLHLUFEOS-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.16
Rot. Bonds6

About 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide

2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 54871708) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID54871708
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(N)C(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-4-5-9(15)10(17)16(6-8(2)3)7-11(12,13)14/h8-9H,4-7,15H2,1-3H3
InChIKeyKARZXBLHLUFEOS-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide (CID 54871708) is 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide is CCCC(N)C(=O)N(CC(C)C)CC(F)(F)F.
What is the InChIKey of 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is KARZXBLHLUFEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-4-5-9(15)10(17)16(6-8(2)3)7-11(12,13)14/h8-9H,4-7,15H2,1-3H3.
What are the key properties of 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 254.30 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 54871708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).