N-(3-bromopropyl)-N-methylcyclooctanecarboxamide

C13H24BrNO — CID 106441097

IUPACN-(3-bromopropyl)-N-methylcyclooctanecarboxamide
SMILESCN(CCCBr)C(=O)C1CCCCCCC1
InChIInChI=1S/C13H24BrNO/c1-15(11-7-10-14)13(16)12-8-5-3-2-4-6-9-12/h12H,2-11H2,1H3
InChIKeyZTNIGZWZSCBYKK-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.59
Rot. Bonds4

About N-(3-bromopropyl)-N-methylcyclooctanecarboxamide

N-(3-bromopropyl)-N-methylcyclooctanecarboxamide (PubChem CID 106441097) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-methylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-methylcyclooctanecarboxamide
PubChem CID106441097
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC NameN-(3-bromopropyl)-N-methylcyclooctanecarboxamide
SMILESCN(CCCBr)C(=O)C1CCCCCCC1
InChIInChI=1S/C13H24BrNO/c1-15(11-7-10-14)13(16)12-8-5-3-2-4-6-9-12/h12H,2-11H2,1H3
InChIKeyZTNIGZWZSCBYKK-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-bromopropyl)-N-methylcyclooctanecarboxamide 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-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
N-[3-(dimethylamino)propyl]-N-methylcyclohexanecarboxamide
CID 143018860
N-(4-aminobutyl)-N-methylcyclohexanecarboxamide
CID 67635638
N-[2-(dimethylamino)ethyl]-N-methylcyclohexanecarboxamide
CID 110482195
N-(2-aminoethyl)-N-methylcyclooctanecarboxamide
CID 65019367
N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 106441463
N-(5-aminopentyl)-N-methylcyclobutanecarboxamide
CID 107206716
N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide
CID 106441576
N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate
CID 65023078
N-(cyanomethyl)-N-methylcycloheptanecarboxamide
CID 62586502
1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-methylcyclooctanecarboxamide?
The IUPAC name of N-(3-bromopropyl)-N-methylcyclooctanecarboxamide (CID 106441097) is N-(3-bromopropyl)-N-methylcyclooctanecarboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N-methylcyclooctanecarboxamide?
The canonical SMILES for N-(3-bromopropyl)-N-methylcyclooctanecarboxamide is CN(CCCBr)C(=O)C1CCCCCCC1.
What is the InChIKey of N-(3-bromopropyl)-N-methylcyclooctanecarboxamide?
The InChIKey is ZTNIGZWZSCBYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-15(11-7-10-14)13(16)12-8-5-3-2-4-6-9-12/h12H,2-11H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-methylcyclooctanecarboxamide?
N-(3-bromopropyl)-N-methylcyclooctanecarboxamide has a molecular weight of 290.25 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-methylcyclooctanecarboxamide is sourced from PubChem (CID 106441097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).