2-amino-N-[4-(trifluoromethyl)cyclohexyl]butanediamide

C11H18F3N3O2 — CID 54928617

IUPAC2-amino-N-[4-(trifluoromethyl)cyclohexyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2/c12-11(13,14)6-1-3-7(4-2-6)17-10(19)8(15)5-9(16)18/h6-8H,1-5,15H2,(H2,16,18)(H,17,19)
InChIKeyFLJIKGFNKPJCJF-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.43
Rot. Bonds4

About 2-amino-N-[4-(trifluoromethyl)cyclohexyl]butanediamide

2-amino-N-[4-(trifluoromethyl)cyclohexyl]butanediamide (PubChem CID 54928617) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-amino-N-[4-(trifluoromethyl)cyclohexyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[4-(trifluoromethyl)cyclohexyl]butanediamide
PubChem CID54928617
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name2-amino-N-[4-(trifluoromethyl)cyclohexyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2/c12-11(13,14)6-1-3-7(4-2-6)17-10(19)8(15)5-9(16)18/h6-8H,1-5,15H2,(H2,16,18)(H,17,19)
InChIKeyFLJIKGFNKPJCJF-UHFFFAOYSA-N
XLogP0.43
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-4,4-difluorocyclohexane-1-carboxamide
CID 75484149
(4S)-1-(2,2,2-trifluoroethyl)-4-[[4-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
CID 97835123
(2S)-2-amino-3-(aziridin-2-yl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propanamide
CID 90063143
3-amino-N'-[(4-fluoro-3-methylcyclohexyl)methyl]-2-oxobutanediamide
CID 91613734
(2R)-3-acetamido-N-[(1S)-1-cyclohexyl-2,2-difluoroethyl]-2-methylpropanamide
CID 170579438
2-[2-Methylpropyl-[2-oxo-2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]amino]acetamide
CID 33362611
2-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 43424811
2-amino-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 43424853
2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 43711805
3-amino-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 43711809
2-amino-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 43711813
2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pentanamide
CID 43711816

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(trifluoromethyl)cyclohexyl]butanediamide?
The IUPAC name of 2-amino-N-[4-(trifluoromethyl)cyclohexyl]butanediamide (CID 54928617) is 2-amino-N-[4-(trifluoromethyl)cyclohexyl]butanediamide.
What is the SMILES notation for 2-amino-N-[4-(trifluoromethyl)cyclohexyl]butanediamide?
The canonical SMILES for 2-amino-N-[4-(trifluoromethyl)cyclohexyl]butanediamide is NC(=O)CC(N)C(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-amino-N-[4-(trifluoromethyl)cyclohexyl]butanediamide?
The InChIKey is FLJIKGFNKPJCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c12-11(13,14)6-1-3-7(4-2-6)17-10(19)8(15)5-9(16)18/h6-8H,1-5,15H2,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-[4-(trifluoromethyl)cyclohexyl]butanediamide?
2-amino-N-[4-(trifluoromethyl)cyclohexyl]butanediamide has a molecular weight of 281.28 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(trifluoromethyl)cyclohexyl]butanediamide is sourced from PubChem (CID 54928617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).