N-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide

C15H28BrNO — CID 106145334

IUPACN-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide
SMILESCC(C)(CCCBr)CNC(=O)C1(C)CCCCC1
InChIInChI=1S/C15H28BrNO/c1-14(2,8-7-11-16)12-17-13(18)15(3)9-5-4-6-10-15/h4-12H2,1-3H3,(H,17,18)
InChIKeyPGBLJSXKQBRIDN-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.27
Rot. Bonds6

About N-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide

N-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106145334) has the molecular formula C15H28BrNO and a molecular weight of 318.30 g/mol. Its IUPAC name is N-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide
PubChem CID106145334
Molecular FormulaC15H28BrNO
Molecular Weight318.30 g/mol
Exact Mass317.14
IUPAC NameN-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide
SMILESCC(C)(CCCBr)CNC(=O)C1(C)CCCCC1
InChIInChI=1S/C15H28BrNO/c1-14(2,8-7-11-16)12-17-13(18)15(3)9-5-4-6-10-15/h4-12H2,1-3H3,(H,17,18)
InChIKeyPGBLJSXKQBRIDN-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2-methylpropyl)-1-methylcyclopentane-1-carboxamide
CID 79039696
N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide
CID 79040016
N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide
CID 106145015
N-(4-bromo-2,2-dimethylbutyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114149392
N-(4-bromo-2-methylbutyl)-1-methylcyclohexane-1-carboxamide
CID 106829044
N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
N-[(1-aminocyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 119404713
N-(2-hydroxy-3,3-dimethylbutyl)-1-methylcycloheptane-1-carboxamide
CID 110027941
2-hydroxy-2-methyl-3-[(3-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 66177466
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide
CID 104873764
N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide
CID 114149740
N-(5-chloro-2,2-dimethylpentyl)-2-methylthiolane-2-carboxamide
CID 106144248

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide (CID 106145334) is N-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide is CC(C)(CCCBr)CNC(=O)C1(C)CCCCC1.
What is the InChIKey of N-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is PGBLJSXKQBRIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrNO/c1-14(2,8-7-11-16)12-17-13(18)15(3)9-5-4-6-10-15/h4-12H2,1-3H3,(H,17,18).
What are the key properties of N-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide?
N-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,2-dimethylpentyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106145334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).