6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide

C14H19Br3N2O — CID 65292805

IUPAC6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide
SMILESCC(C)(CCN)CCC(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H19Br3N2O/c1-14(2,5-6-18)4-3-12(20)19-13-10(16)7-9(15)8-11(13)17/h7-8H,3-6,18H2,1-2H3,(H,19,20)
InChIKeyANRUCMCHVBUGGZ-UHFFFAOYSA-N
MW471.03 g/mol
LogP5.07
Rot. Bonds6

About 6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide

6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide (PubChem CID 65292805) has the molecular formula C14H19Br3N2O and a molecular weight of 471.03 g/mol. Its IUPAC name is 6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide.

Molecular Properties

Compound Name6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide
PubChem CID65292805
Molecular FormulaC14H19Br3N2O
Molecular Weight471.03 g/mol
Exact Mass467.90
IUPAC Name6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide
SMILESCC(C)(CCN)CCC(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H19Br3N2O/c1-14(2,5-6-18)4-3-12(20)19-13-10(16)7-9(15)8-11(13)17/h7-8H,3-6,18H2,1-2H3,(H,19,20)
InChIKeyANRUCMCHVBUGGZ-UHFFFAOYSA-N
XLogP5.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.03
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-(2,4-dibromophenyl)-4,4-dimethylhexanamide
CID 65290987
6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide
CID 82867638
4-hydroxy-N-(2,4,6-tribromophenyl)pentanamide
CID 79201496
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
3-(propan-2-ylamino)-N-(2,4,6-tribromophenyl)propanamide
CID 60854870
methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915667
2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide
CID 54928689
3-bromo-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 115571577
5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide
CID 114209129
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,4,6-tribromophenyl)acetamide
CID 79389627
5-[(6-amino-4,4-dimethylhexanoyl)amino]-2-chlorobenzoic acid
CID 65290954
6-amino-N-(2-hydroxy-4-methoxyphenyl)-4,4-dimethylhexanamide
CID 102695165

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide?
The IUPAC name of 6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide (CID 65292805) is 6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide.
What is the SMILES notation for 6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide?
The canonical SMILES for 6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide is CC(C)(CCN)CCC(=O)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide?
The InChIKey is ANRUCMCHVBUGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br3N2O/c1-14(2,5-6-18)4-3-12(20)19-13-10(16)7-9(15)8-11(13)17/h7-8H,3-6,18H2,1-2H3,(H,19,20).
What are the key properties of 6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide?
6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide has a molecular weight of 471.03 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4-dimethyl-N-(2,4,6-tribromophenyl)hexanamide is sourced from PubChem (CID 65292805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).