3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide

C9H17F3N2O — CID 60947544

IUPAC3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCN
InChIInChI=1S/C9H17F3N2O/c1-7(2)5-14(6-9(10,11)12)8(15)3-4-13/h7H,3-6,13H2,1-2H3
InChIKeyVZYJHTRLOJAJKM-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.38
Rot. Bonds5

About 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide

3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 60947544) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID60947544
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CCN
InChIInChI=1S/C9H17F3N2O/c1-7(2)5-14(6-9(10,11)12)8(15)3-4-13/h7H,3-6,13H2,1-2H3
InChIKeyVZYJHTRLOJAJKM-UHFFFAOYSA-N
XLogP1.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,N-bis(2-methylpropyl)propanamide;hydrochloride
CID 119261436
2-tert-butylsulfanyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78877747
3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
CID 62230601
2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81312040
2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60779660
3-(3-aminophenyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 80694736
2,2,2-trifluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 63374882
3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 65269424
2-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 54871893
2-benzylsulfanyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86998537
N-(2-methylpropyl)-2-(2-methylpropylsulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78882883
3-amino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60890804

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 60947544) is 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C)CN(CC(F)(F)F)C(=O)CCN.
What is the InChIKey of 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is VZYJHTRLOJAJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-7(2)5-14(6-9(10,11)12)8(15)3-4-13/h7H,3-6,13H2,1-2H3.
What are the key properties of 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 226.24 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 60947544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).