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

C12H23F3N2O — CID 65227637

IUPAC2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(CN)C(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-4-5-10(6-16)11(18)17(7-9(2)3)8-12(13,14)15/h9-10H,4-8,16H2,1-3H3
InChIKeyFQVXEIMVQLRSMS-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.41
Rot. Bonds7

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

2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 65227637) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID65227637
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(CN)C(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-4-5-10(6-16)11(18)17(7-9(2)3)8-12(13,14)15/h9-10H,4-8,16H2,1-3H3
InChIKeyFQVXEIMVQLRSMS-UHFFFAOYSA-N
XLogP2.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide (CID 65227637) is 2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide is CCCC(CN)C(=O)N(CC(C)C)CC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is FQVXEIMVQLRSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-4-5-10(6-16)11(18)17(7-9(2)3)8-12(13,14)15/h9-10H,4-8,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 268.32 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 65227637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).