N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline

C16H24BrN — CID 65010121

IUPACN-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline
SMILESCN(CC1(CBr)CCCCCC1)c1ccccc1
InChIInChI=1S/C16H24BrN/c1-18(15-9-5-4-6-10-15)14-16(13-17)11-7-2-3-8-12-16/h4-6,9-10H,2-3,7-8,11-14H2,1H3
InChIKeyHNVMQOBIRVWCNN-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.86
Rot. Bonds4

About N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline

N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline (PubChem CID 65010121) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline
PubChem CID65010121
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline
SMILESCN(CC1(CBr)CCCCCC1)c1ccccc1
InChIInChI=1S/C16H24BrN/c1-18(15-9-5-4-6-10-15)14-16(13-17)11-7-2-3-8-12-16/h4-6,9-10H,2-3,7-8,11-14H2,1H3
InChIKeyHNVMQOBIRVWCNN-UHFFFAOYSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-(bromomethyl)cyclopentyl]methyl-methylamino]benzonitrile
CID 65003005
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylaniline
CID 115448798
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylaniline
CID 55051657
N-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine
CID 65001960
N-[[1-(bromomethyl)cycloheptyl]methyl]-1-(2-bromophenyl)-N-methylmethanamine
CID 65010325
N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2,4-trimethylaniline
CID 65010427
N-[[1-(bromomethyl)cyclohexyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 65006736
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethyl-2-fluoroaniline
CID 65010526
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline
CID 65003098
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine
CID 65010270
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline
CID 62259755
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline?
The IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline (CID 65010121) is N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline.
What is the SMILES notation for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline?
The canonical SMILES for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline is CN(CC1(CBr)CCCCCC1)c1ccccc1.
What is the InChIKey of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline?
The InChIKey is HNVMQOBIRVWCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-18(15-9-5-4-6-10-15)14-16(13-17)11-7-2-3-8-12-16/h4-6,9-10H,2-3,7-8,11-14H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline?
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline has a molecular weight of 310.28 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline is sourced from PubChem (CID 65010121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).