(2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide

C11H19F3N2O — CID 119343054

IUPAC(2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCC1CCCCC1C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-7(15)10(17)16-6-8-4-2-3-5-9(8)11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17)/t7-,8?,9?/m1/s1
InChIKeyWSSYSDQDWMKKIH-AFPNSQJFSA-N
MW252.28 g/mol
LogP1.82
Rot. Bonds3

About (2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide

(2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide (PubChem CID 119343054) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is (2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide
PubChem CID119343054
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name(2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide
SMILESC[C@@H](N)C(=O)NCC1CCCCC1C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-7(15)10(17)16-6-8-4-2-3-5-9(8)11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17)/t7-,8?,9?/m1/s1
InChIKeyWSSYSDQDWMKKIH-AFPNSQJFSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 79001441
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
[2-(trifluoromethyl)cyclohexyl]methylhydrazine
CID 104622067
(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
CID 119344063
4-(2,2-dimethylpropanoyl)-N-[[2-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboxamide
CID 154749822
3-amino-N-[(2-hydroxycyclohexyl)methyl]-2-methylbutanamide;hydrochloride
CID 120501252
N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115737026
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
N-[(2-hydroxycyclohexyl)methyl]-3-methyl-2-sulfanylbutanamide
CID 107031039

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide (CID 119343054) is (2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide is C[C@@H](N)C(=O)NCC1CCCCC1C(F)(F)F.
What is the InChIKey of (2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide?
The InChIKey is WSSYSDQDWMKKIH-AFPNSQJFSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-7(15)10(17)16-6-8-4-2-3-5-9(8)11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17)/t7-,8?,9?/m1/s1.
What are the key properties of (2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide?
(2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide has a molecular weight of 252.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[[2-(trifluoromethyl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 119343054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).