N-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H25F3N2O — CID 104621891

IUPACN-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCN(CC(C)CN)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H25F3N2O/c1-3-19(9-10(2)8-18)13(20)11-6-4-5-7-12(11)14(15,16)17/h10-12H,3-9,18H2,1-2H3
InChIKeyWLQODOMZHMFJOO-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.80
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104621891) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104621891
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCN(CC(C)CN)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H25F3N2O/c1-3-19(9-10(2)8-18)13(20)11-6-4-5-7-12(11)14(15,16)17/h10-12H,3-9,18H2,1-2H3
InChIKeyWLQODOMZHMFJOO-UHFFFAOYSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 112684964
N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104621885
N-(3-amino-2-methylpropyl)-N-ethyl-1,1-dioxothiolane-3-carboxamide
CID 64913364
4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 81076180
N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 102873908
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107492620
2-amino-N-ethyl-N-propylcyclohexane-1-carboxamide
CID 62777516
2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 4206055
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622515
N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622417
2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55011705
cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carbonyl fluoride
CID 45081770

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104621891) is N-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is CCN(CC(C)CN)C(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is WLQODOMZHMFJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-3-19(9-10(2)8-18)13(20)11-6-4-5-7-12(11)14(15,16)17/h10-12H,3-9,18H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104621891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).