4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide

C12H21F3N2O — CID 81076103

IUPAC4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
SMILESCC(CN)CC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-8(7-16)5-11(18)17-10-4-2-3-9(6-10)12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18)
InChIKeyNSZXXKLCYWPPEQ-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.21
Rot. Bonds4

About 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide

4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 81076103) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID81076103
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
SMILESCC(CN)CC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-8(7-16)5-11(18)17-10-4-2-3-9(6-10)12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18)
InChIKeyNSZXXKLCYWPPEQ-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-cyclobutyl-3-methylbutanamide
CID 81086885
4-amino-3-methyl-N-(3-methylcyclohexyl)butanamide
CID 81071155
4-amino-N-cyclohexyl-3-methylbutanamide
CID 81070976
(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
CID 100835824
2-amino-N-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]acetamide
CID 60849623
3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
CID 113250164
4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 81076180
2-(1-hydroxycyclopentyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 111430402
2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 76887112
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 62852011
2-(4-aminopiperidin-1-yl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 79322864
2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 47021134

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide (CID 81076103) is 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide is CC(CN)CC(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is NSZXXKLCYWPPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-8(7-16)5-11(18)17-10-4-2-3-9(6-10)12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide has a molecular weight of 266.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 81076103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).