N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride

C10H20ClF3N2O — CID 119588676

IUPACN-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CCC(F)(F)F.Cl
InChIInChI=1S/C10H19F3N2O.ClH/c1-7(2)5-8(6-14)15-9(16)3-4-10(11,12)13;/h7-8H,3-6,14H2,1-2H3,(H,15,16);1H
InChIKeyKDBNFISVMKLSKW-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.24
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride (PubChem CID 119588676) has the molecular formula C10H20ClF3N2O and a molecular weight of 276.73 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride
PubChem CID119588676
Molecular FormulaC10H20ClF3N2O
Molecular Weight276.73 g/mol
Exact Mass276.12
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)CCC(F)(F)F.Cl
InChIInChI=1S/C10H19F3N2O.ClH/c1-7(2)5-8(6-14)15-9(16)3-4-10(11,12)13;/h7-8H,3-6,14H2,1-2H3,(H,15,16);1H
InChIKeyKDBNFISVMKLSKW-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119585818
N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310367
N-(1-amino-4-methylpentan-2-yl)-4-cyclopentylbutanamide;hydrochloride
CID 119588873
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide
CID 63888731
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride
CID 119588587
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
CID 119587847
N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 119587580
6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one
CID 116577005
6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4,4-dimethylhexanamide
CID 65290403
N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
CID 119588182
N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63754538

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride (CID 119588676) is N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride is CC(C)CC(CN)NC(=O)CCC(F)(F)F.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride?
The InChIKey is KDBNFISVMKLSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O.ClH/c1-7(2)5-8(6-14)15-9(16)3-4-10(11,12)13;/h7-8H,3-6,14H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride has a molecular weight of 276.73 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride is sourced from PubChem (CID 119588676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).