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

C13H23F3N2O — CID 119043940

IUPACN,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
SMILESCN(C)C(=O)CCCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O/c1-18(2)12(19)7-4-8-17-11-6-3-5-10(9-11)13(14,15)16/h10-11,17H,3-9H2,1-2H3
InChIKeyMYUOTNGVBGKZPO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.57
Rot. Bonds5

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

N,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide (PubChem CID 119043940) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
PubChem CID119043940
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
SMILESCN(C)C(=O)CCCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O/c1-18(2)12(19)7-4-8-17-11-6-3-5-10(9-11)13(14,15)16/h10-11,17H,3-9H2,1-2H3
InChIKeyMYUOTNGVBGKZPO-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclobutylamino)-N,N-dimethylbutanamide
CID 62415155
5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 107302816
4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide
CID 63923725
N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757364
N,N-dimethyl-4-[(2-methylcyclopentyl)amino]butanamide
CID 63278012
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 103080784
N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 114615558
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]propane-1,2-diamine
CID 64756963
3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 113492081
N,N-dimethyl-5-(piperidin-4-ylamino)pentanamide
CID 173326763
N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609637
(2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99627947

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide?
The IUPAC name of N,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide (CID 119043940) is N,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide?
The canonical SMILES for N,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide is CN(C)C(=O)CCCNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide?
The InChIKey is MYUOTNGVBGKZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-18(2)12(19)7-4-8-17-11-6-3-5-10(9-11)13(14,15)16/h10-11,17H,3-9H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide?
N,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide has a molecular weight of 280.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide is sourced from PubChem (CID 119043940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).