2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine

C17H21BrN2 — CID 102637233

IUPAC2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine
SMILESCN(Cc1ccc2ccccc2n1)C1CCCCC1Br
InChIInChI=1S/C17H21BrN2/c1-20(17-9-5-3-7-15(17)18)12-14-11-10-13-6-2-4-8-16(13)19-14/h2,4,6,8,10-11,15,17H,3,5,7,9,12H2,1H3
InChIKeyKVXXWCGTICGDLD-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.37
Rot. Bonds3

About 2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine

2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 102637233) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine
PubChem CID102637233
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine
SMILESCN(Cc1ccc2ccccc2n1)C1CCCCC1Br
InChIInChI=1S/C17H21BrN2/c1-20(17-9-5-3-7-15(17)18)12-14-11-10-13-6-2-4-8-16(13)19-14/h2,4,6,8,10-11,15,17H,3,5,7,9,12H2,1H3
InChIKeyKVXXWCGTICGDLD-UHFFFAOYSA-N
XLogP4.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-methyl-4-N-(quinolin-2-ylmethyl)cyclohexane-1,4-diamine
CID 79112911
trans-(1R,2R)-1-N,2-N-dibenzyl-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine
CID 102375757
2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 102637268
N-(2-bromocyclohexyl)-N-methylquinazolin-2-amine
CID 102637721
N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 75682393
(3S)-N-methyl-1,1-dioxo-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 51598738
(3S)-N-methyl-N-(quinolin-2-ylmethyl)thiolan-3-amine
CID 97093086
N-methyl-N-(quinolin-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 119923035
1-[[methyl(quinolin-2-ylmethyl)amino]methyl]cyclopentan-1-ol
CID 115758417
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637231
S-[methyl(quinolin-2-ylmethyl)amino]thiohydroxylamine
CID 143852851

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine (CID 102637233) is 2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine is CN(Cc1ccc2ccccc2n1)C1CCCCC1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is KVXXWCGTICGDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-20(17-9-5-3-7-15(17)18)12-14-11-10-13-6-2-4-8-16(13)19-14/h2,4,6,8,10-11,15,17H,3,5,7,9,12H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine?
2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 333.27 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 102637233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).