N-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide

C14H24BrNO — CID 107206135

IUPACN-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(CCCCCBr)C(=O)C1CC2CCC1C2
InChIInChI=1S/C14H24BrNO/c1-16(8-4-2-3-7-15)14(17)13-10-11-5-6-12(13)9-11/h11-13H,2-10H2,1H3
InChIKeySUCJNMXHHBFSLF-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.45
Rot. Bonds6

About N-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide

N-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 107206135) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is N-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID107206135
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC NameN-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(CCCCCBr)C(=O)C1CC2CCC1C2
InChIInChI=1S/C14H24BrNO/c1-16(8-4-2-3-7-15)14(17)13-10-11-5-6-12(13)9-11/h11-13H,2-10H2,1H3
InChIKeySUCJNMXHHBFSLF-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
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

N-(5-chloropentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 107205733
N-(5-aminopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 107206759
N-(3-bromopropyl)-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide
CID 102872445
(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588
methyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(methyl)amino]acetate
CID 43409497
N-(5-bromopentyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 107206109
N-(3-aminopropyl)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 61363750
N-methyl-N-(pyrrolidin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106607658
N-(3-bromopropyl)-N-methylcyclooctanecarboxamide
CID 106441097
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 63929945
N-[(3-carbamothioylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 62967037
N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 104555749

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide (CID 107206135) is N-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide is CN(CCCCCBr)C(=O)C1CC2CCC1C2.
What is the InChIKey of N-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is SUCJNMXHHBFSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c1-16(8-4-2-3-7-15)14(17)13-10-11-5-6-12(13)9-11/h11-13H,2-10H2,1H3.
What are the key properties of N-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
N-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 302.26 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 107206135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).