N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide

C17H30BrNO — CID 107184222

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)NCC1CCCCC1CBr
InChIInChI=1S/C17H30BrNO/c1-17(2)10-6-5-9-15(17)16(20)19-12-14-8-4-3-7-13(14)11-18/h13-15H,3-12H2,1-2H3,(H,19,20)
InChIKeyOXQJDDVNRBQFEC-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.52
Rot. Bonds4

About N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide

N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107184222) has the molecular formula C17H30BrNO and a molecular weight of 344.34 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107184222
Molecular FormulaC17H30BrNO
Molecular Weight344.34 g/mol
Exact Mass343.15
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)NCC1CCCCC1CBr
InChIInChI=1S/C17H30BrNO/c1-17(2)10-6-5-9-15(17)16(20)19-12-14-8-4-3-7-13(14)11-18/h13-15H,3-12H2,1-2H3,(H,19,20)
InChIKeyOXQJDDVNRBQFEC-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.52
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

2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 107178834
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylcyclopentane-1-carboxamide
CID 107184223
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107184694
N-(4-bromobutyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184530
N-(3-chloropropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179984
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184226
N-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 106128288
N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180369
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107176150
N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 106131588
N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104917114

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide (CID 107184222) is N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide is CC1(C)CCCCC1C(=O)NCC1CCCCC1CBr.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is OXQJDDVNRBQFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrNO/c1-17(2)10-6-5-9-15(17)16(20)19-12-14-8-4-3-7-13(14)11-18/h13-15H,3-12H2,1-2H3,(H,19,20).
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107184222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).