N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H25F3N2O — CID 104622515

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H25F3N2O/c1-9(2)13(3,8-18)19-12(20)10-6-4-5-7-11(10)14(15,16)17/h9-11H,4-8,18H2,1-3H3,(H,19,20)
InChIKeyLBVSUDUSNFAHSR-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.84
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104622515) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104622515
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H25F3N2O/c1-9(2)13(3,8-18)19-12(20)10-6-4-5-7-11(10)14(15,16)17/h9-11H,4-8,18H2,1-3H3,(H,19,20)
InChIKeyLBVSUDUSNFAHSR-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-amino-2,3-dimethylbutan-2-yl)-2-(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-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104622515) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is CC(C)C(C)(CN)NC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is LBVSUDUSNFAHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-9(2)13(3,8-18)19-12(20)10-6-4-5-7-11(10)14(15,16)17/h9-11H,4-8,18H2,1-3H3,(H,19,20).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104622515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).