N-(6-bromohexyl)-2,3-dimethylbutanamide

C12H24BrNO — CID 107847756

IUPACN-(6-bromohexyl)-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCCCCCCBr
InChIInChI=1S/C12H24BrNO/c1-10(2)11(3)12(15)14-9-7-5-4-6-8-13/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyNYSIAOHOWSSRGI-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.35
Rot. Bonds8

About N-(6-bromohexyl)-2,3-dimethylbutanamide

N-(6-bromohexyl)-2,3-dimethylbutanamide (PubChem CID 107847756) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(6-bromohexyl)-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-2,3-dimethylbutanamide
PubChem CID107847756
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC NameN-(6-bromohexyl)-2,3-dimethylbutanamide
SMILESCC(C)C(C)C(=O)NCCCCCCBr
InChIInChI=1S/C12H24BrNO/c1-10(2)11(3)12(15)14-9-7-5-4-6-8-13/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyNYSIAOHOWSSRGI-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(3-bromopropyl)-3-methylbutanamide
CID 139696005
N-(6-bromohexyl)-2-ethylhexanamide
CID 107847533
11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
(2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide
CID 163905710
ethyl N-(6-bromohexyl)carbamate
CID 87279639
tert-butyl N-(12-bromododecyl)carbamate
CID 4206147
N-(5-bromopentyl)-2-methylsulfanylacetamide
CID 107321815
2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
CID 79456707
4-(6-aminohexylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 90278241
N-(5-bromopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107321660

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-2,3-dimethylbutanamide?
The IUPAC name of N-(6-bromohexyl)-2,3-dimethylbutanamide (CID 107847756) is N-(6-bromohexyl)-2,3-dimethylbutanamide.
What is the SMILES notation for N-(6-bromohexyl)-2,3-dimethylbutanamide?
The canonical SMILES for N-(6-bromohexyl)-2,3-dimethylbutanamide is CC(C)C(C)C(=O)NCCCCCCBr.
What is the InChIKey of N-(6-bromohexyl)-2,3-dimethylbutanamide?
The InChIKey is NYSIAOHOWSSRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-10(2)11(3)12(15)14-9-7-5-4-6-8-13/h10-11H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(6-bromohexyl)-2,3-dimethylbutanamide?
N-(6-bromohexyl)-2,3-dimethylbutanamide has a molecular weight of 278.23 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-2,3-dimethylbutanamide is sourced from PubChem (CID 107847756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).