N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide

C15H28BrNO — CID 114149740

IUPACN-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCC(C)(C)CCCBr)CC1
InChIInChI=1S/C15H28BrNO/c1-12-5-7-13(8-6-12)14(18)17-11-15(2,3)9-4-10-16/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyQUUWQUOSVUGDOY-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.13
Rot. Bonds6

About N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide

N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 114149740) has the molecular formula C15H28BrNO and a molecular weight of 318.30 g/mol. Its IUPAC name is N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide
PubChem CID114149740
Molecular FormulaC15H28BrNO
Molecular Weight318.30 g/mol
Exact Mass317.14
IUPAC NameN-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCC(C)(C)CCCBr)CC1
InChIInChI=1S/C15H28BrNO/c1-12-5-7-13(8-6-12)14(18)17-11-15(2,3)9-4-10-16/h12-13H,4-11H2,1-3H3,(H,17,18)
InChIKeyQUUWQUOSVUGDOY-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
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-(5-bromo-2,2-dimethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106145391
N-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide
CID 106145377
N-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106145635
N-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide
CID 106145624
4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide
CID 103899307
N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
CID 103772299
N-[2-(chloromethyl)-2-ethylbutyl]-4-methylcyclohexane-1-carboxamide
CID 114164566
N-(4-bromo-2,2-dimethylbutyl)thiolane-3-carboxamide
CID 106143446
N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide
CID 103772539
N-(5-bromo-2,2-dimethylpentyl)-2-methylpentanamide
CID 106145156
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methylcyclohexane-1-carboxamide
CID 109380746
N-[2,2-dimethyl-3-[(3-methylcyclobutanecarbonyl)amino]propyl]-3-methylcyclobutane-1-carboxamide
CID 84586419

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide (CID 114149740) is N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NCC(C)(C)CCCBr)CC1.
What is the InChIKey of N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is QUUWQUOSVUGDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrNO/c1-12-5-7-13(8-6-12)14(18)17-11-15(2,3)9-4-10-16/h12-13H,4-11H2,1-3H3,(H,17,18).
What are the key properties of N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide?
N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 4.13, 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)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 114149740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).