2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide

C13H23F3N2O — CID 79811328

IUPAC2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCCC(NC(=O)C(C)(N)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H23F3N2O/c1-3-10(9-7-5-4-6-8-9)18-11(19)12(2,17)13(14,15)16/h9-10H,3-8,17H2,1-2H3,(H,18,19)
InChIKeyBOGIKUDQWXKTHK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.74
Rot. Bonds4

About 2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79811328) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79811328
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCCC(NC(=O)C(C)(N)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H23F3N2O/c1-3-10(9-7-5-4-6-8-9)18-11(19)12(2,17)13(14,15)16/h9-10H,3-8,17H2,1-2H3,(H,18,19)
InChIKeyBOGIKUDQWXKTHK-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62834265
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2-(aminomethyl)-N-(1-cyclohexylpropyl)-3-methylbutanamide
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2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid
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2-amino-3,3,3-trifluoro-2-methyl-N-(3-methylpentan-2-yl)propanamide
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N-(2-amino-1-cyclopentylethyl)-2,2,2-trifluoroacetamide
CID 106737372
2-chloro-N-(1-cyclohexylpropyl)acetamide
CID 62407197
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N-(1-cyclobutylpropyl)acetamide
CID 127002620
(2S)-2-amino-N-(1-cyclohexylpropyl)-4-methylsulfanylbutanamide
CID 62406341
2-amino-3,3,3-trifluoro-2-methyl-N-pentan-2-ylpropanamide
CID 79790165

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide (CID 79811328) is 2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide is CCC(NC(=O)C(C)(N)C(F)(F)F)C1CCCCC1.
What is the InChIKey of 2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is BOGIKUDQWXKTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-3-10(9-7-5-4-6-8-9)18-11(19)12(2,17)13(14,15)16/h9-10H,3-8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 280.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclohexylpropyl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79811328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).