4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide

C12H21F3N2O — CID 81076180

IUPAC4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
SMILESCC(CN)CC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-8(7-16)6-11(18)17-10-5-3-2-4-9(10)12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18)
InChIKeyHWWULYILTJPORN-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.21
Rot. Bonds4

About 4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide

4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 81076180) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID81076180
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
SMILESCC(CN)CC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H21F3N2O/c1-8(7-16)6-11(18)17-10-5-3-2-4-9(10)12(13,14)15/h8-10H,2-7,16H2,1H3,(H,17,18)
InChIKeyHWWULYILTJPORN-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-cyclohexyl-3-methylbutanamide
CID 81070976
6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide
CID 43712731
4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 81076103
4-amino-N-cyclobutyl-3-methylbutanamide
CID 81086885
(2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
CID 61177900
N-propan-2-yl-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
CID 64758473
(2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61178090
3-[methyl(propyl)amino]-N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]propanamide
CID 95153501
5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid
CID 107214806
N-(2-aminocyclohexyl)-3-methylpentanamide
CID 114875574
2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 36813059
N-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104621891

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of 4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide (CID 81076180) is 4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for 4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide is CC(CN)CC(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is HWWULYILTJPORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-8(7-16)6-11(18)17-10-5-3-2-4-9(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-[2-(trifluoromethyl)cyclohexyl]butanamide?
4-amino-3-methyl-N-[2-(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-[2-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 81076180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).