N-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine

C17H26BrN — CID 65001960

IUPACN-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine
SMILESCCN(Cc1ccccc1)CC1(CBr)CCCCC1
InChIInChI=1S/C17H26BrN/c1-2-19(13-16-9-5-3-6-10-16)15-17(14-18)11-7-4-8-12-17/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3
InChIKeyYKQDIHIJVWIHLJ-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.85
Rot. Bonds6

About N-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine

N-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine (PubChem CID 65001960) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine
PubChem CID65001960
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine
SMILESCCN(Cc1ccccc1)CC1(CBr)CCCCC1
InChIInChI=1S/C17H26BrN/c1-2-19(13-16-9-5-3-6-10-16)15-17(14-18)11-7-4-8-12-17/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3
InChIKeyYKQDIHIJVWIHLJ-UHFFFAOYSA-N
XLogP4.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.85
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

N-benzyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]ethanamine
CID 62263266
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072
2-[1-[[benzyl(ethyl)amino]methyl]cyclopropyl]acetic acid
CID 65497581
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline
CID 65010121
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine
CID 65002069
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethyl-2-fluoroaniline
CID 65010526
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65001962
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N-[[1-(bromomethyl)cycloheptyl]methyl]-1-(2-bromophenyl)-N-methylmethanamine
CID 65010325
3-[[benzyl(ethyl)amino]methyl]oxolan-3-amine
CID 64893233
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine
CID 65002738

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine (CID 65001960) is N-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine is CCN(Cc1ccccc1)CC1(CBr)CCCCC1.
What is the InChIKey of N-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is YKQDIHIJVWIHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-2-19(13-16-9-5-3-6-10-16)15-17(14-18)11-7-4-8-12-17/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3.
What are the key properties of N-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine?
N-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 324.31 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[1-(bromomethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 65001960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).