N-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide

C13H24BrNO — CID 106829044

IUPACN-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide
SMILESCC(CCBr)CNC(=O)C1(C)CCCCC1
InChIInChI=1S/C13H24BrNO/c1-11(6-9-14)10-15-12(16)13(2)7-4-3-5-8-13/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyUZMZVDHYXJSTQV-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.49
Rot. Bonds5

About N-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide

N-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106829044) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide
PubChem CID106829044
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC NameN-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide
SMILESCC(CCBr)CNC(=O)C1(C)CCCCC1
InChIInChI=1S/C13H24BrNO/c1-11(6-9-14)10-15-12(16)13(2)7-4-3-5-8-13/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyUZMZVDHYXJSTQV-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.49
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

4-methyl-5-[(1-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 82010362
N-[2-(2-bromoethyl)pentyl]-1-methylcyclopentane-1-carboxamide
CID 106117908
(2S)-2-hydroxy-3-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 107833610
N-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide
CID 110027941
N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829026
N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide
CID 114316713
N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829061
N-(2-cyanopropyl)-1-methylcyclobutane-1-carboxamide
CID 127001216
5-[(1-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 82688208
2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid
CID 106826432
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 154578033
N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide
CID 83151244

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide (CID 106829044) is N-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide is CC(CCBr)CNC(=O)C1(C)CCCCC1.
What is the InChIKey of N-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is UZMZVDHYXJSTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-11(6-9-14)10-15-12(16)13(2)7-4-3-5-8-13/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide?
N-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 290.25 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106829044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).