N-(4-amino-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

C14H25F3N2O — CID 106139643

IUPACN-(4-amino-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(C)(CCN)CNC(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c1-13(2,7-8-18)9-19-12(20)10-3-5-11(6-4-10)14(15,16)17/h10-11H,3-9,18H2,1-2H3,(H,19,20)
InChIKeyAOVOLBKTUULMIC-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.85
Rot. Bonds5

About N-(4-amino-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

N-(4-amino-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 106139643) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID106139643
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(C)(CCN)CNC(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c1-13(2,7-8-18)9-19-12(20)10-3-5-11(6-4-10)14(15,16)17/h10-11H,3-9,18H2,1-2H3,(H,19,20)
InChIKeyAOVOLBKTUULMIC-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-amino-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 106139643) is N-(4-amino-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide is CC(C)(CCN)CNC(=O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is AOVOLBKTUULMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-13(2,7-8-18)9-19-12(20)10-3-5-11(6-4-10)14(15,16)17/h10-11H,3-9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(4-amino-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106139643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).