N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine

C14H23BrN2 — CID 55069287

IUPACN'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
SMILESCNCCCCCN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2/c1-16-10-4-3-5-11-17(2)12-13-6-8-14(15)9-7-13/h6-9,16H,3-5,10-12H2,1-2H3
InChIKeySSIZUPBKODCEAG-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.27
Rot. Bonds8

About N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine

N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine (PubChem CID 55069287) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
PubChem CID55069287
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC NameN'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
SMILESCNCCCCCN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H23BrN2/c1-16-10-4-3-5-11-17(2)12-13-6-8-14(15)9-7-13/h6-9,16H,3-5,10-12H2,1-2H3
InChIKeySSIZUPBKODCEAG-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-fluorophenyl)methyl]-N,N'-dimethylbutane-1,4-diamine
CID 61413181
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
N'-[(4-bromophenyl)methyl]-N'-methyl-N-propylpentane-1,5-diamine
CID 62411901
N'-[(4-bromophenyl)methyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62412779
N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine
CID 115197894
N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201768
N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 62428888
N-[2-[(4-bromophenyl)methyl-methylamino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62556390
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
N'-[(4-bromo-3-fluorophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 81436013
methyl 4-[(4-bromophenyl)methyl-methylamino]butanoate
CID 61415832
4-N-[(4-bromophenyl)methyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62411375

Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine?
The IUPAC name of N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine (CID 55069287) is N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine.
What is the SMILES notation for N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine?
The canonical SMILES for N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine is CNCCCCCN(C)Cc1ccc(Br)cc1.
What is the InChIKey of N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine?
The InChIKey is SSIZUPBKODCEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-16-10-4-3-5-11-17(2)12-13-6-8-14(15)9-7-13/h6-9,16H,3-5,10-12H2,1-2H3.
What are the key properties of N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine?
N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-bromophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine is sourced from PubChem (CID 55069287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).