N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide

C14H26BrNO — CID 106131588

IUPACN-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(Br)CCCNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H26BrNO/c1-11(15)7-6-10-16-13(17)12-8-4-5-9-14(12,2)3/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyZBQZEVNPFLBCOR-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.88
Rot. Bonds5

About N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide

N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 106131588) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID106131588
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC NameN-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(Br)CCCNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H26BrNO/c1-11(15)7-6-10-16-13(17)12-8-4-5-9-14(12,2)3/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyZBQZEVNPFLBCOR-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one
CID 25222940
N-Ethyl-1-(isopropyl)-2-methylcyclohexanecarboxamide
CID 3016620
N-Ethyl-1-isopropylcyclohexanecarboxamide
CID 3016622
N-ethyl-1-(1-methylpropyl)cyclohexanecarboxamide
CID 3016624
1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 162563395
(1S)-2-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 173505523
N-(3-bromobutyl)-4,4-difluorocyclohexane-1-carboxamide
CID 81933898
N-(3-bromobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81933925
N-(3-bromo-2,2-dimethylpropyl)-4,4-difluorocyclohexane-1-carboxamide
CID 81933958
N-(3-bromo-2,2-dimethylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81933990
N-ethyl-2-methyl-1-(2-methylpropyl)cyclohexane-1-carboxamide
CID 102267629
N-(3-bromopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622344

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide (CID 106131588) is N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide is CC(Br)CCCNC(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is ZBQZEVNPFLBCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-11(15)7-6-10-16-13(17)12-8-4-5-9-14(12,2)3/h11-12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 106131588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).