N-(4-bromocyclohexyl)-2-methylpentanamide

C12H22BrNO — CID 114309002

IUPACN-(4-bromocyclohexyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1CCC(Br)CC1
InChIInChI=1S/C12H22BrNO/c1-3-4-9(2)12(15)14-11-7-5-10(13)6-8-11/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyHWUQVWJXIPZTPM-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.24
Rot. Bonds4

About N-(4-bromocyclohexyl)-2-methylpentanamide

N-(4-bromocyclohexyl)-2-methylpentanamide (PubChem CID 114309002) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-2-methylpentanamide
PubChem CID114309002
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC NameN-(4-bromocyclohexyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC1CCC(Br)CC1
InChIInChI=1S/C12H22BrNO/c1-3-4-9(2)12(15)14-11-7-5-10(13)6-8-11/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyHWUQVWJXIPZTPM-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-2-methylpentanamide
CID 4532030
N-(4-bromocyclohexyl)-2-methylpropanamide
CID 114309031
N-(4-bromocyclohexyl)-2-ethylbutanamide
CID 114309036
N-[3-(hydroxymethyl)cyclobutyl]-2-methylpentanamide
CID 165445060
(3S)-N-cyclopropyl-2,3-dihydroxyhexanamide
CID 123542351
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
N-cyclopropyl-3-methylhexanamide
CID 155359047
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853
N-[(1S)-1-cyclopropylethyl]-2-methylpentanamide
CID 161003325
2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 43631930

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-2-methylpentanamide?
The IUPAC name of N-(4-bromocyclohexyl)-2-methylpentanamide (CID 114309002) is N-(4-bromocyclohexyl)-2-methylpentanamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-2-methylpentanamide?
The canonical SMILES for N-(4-bromocyclohexyl)-2-methylpentanamide is CCCC(C)C(=O)NC1CCC(Br)CC1.
What is the InChIKey of N-(4-bromocyclohexyl)-2-methylpentanamide?
The InChIKey is HWUQVWJXIPZTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-3-4-9(2)12(15)14-11-7-5-10(13)6-8-11/h9-11H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-(4-bromocyclohexyl)-2-methylpentanamide?
N-(4-bromocyclohexyl)-2-methylpentanamide has a molecular weight of 276.22 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-2-methylpentanamide is sourced from PubChem (CID 114309002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).