N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine

C11H15Br3N2 — CID 114525073

IUPACN',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine
SMILESCN(C)CCCNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C11H15Br3N2/c1-16(2)5-3-4-15-11-9(13)6-8(12)7-10(11)14/h6-7,15H,3-5H2,1-2H3
InChIKeyNCQOTQHWRSXLRJ-UHFFFAOYSA-N
MW414.97 g/mol
LogP4.34
Rot. Bonds5

About N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine

N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine (PubChem CID 114525073) has the molecular formula C11H15Br3N2 and a molecular weight of 414.97 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine
PubChem CID114525073
Molecular FormulaC11H15Br3N2
Molecular Weight414.97 g/mol
Exact Mass411.88
IUPAC NameN',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine
SMILESCN(C)CCCNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C11H15Br3N2/c1-16(2)5-3-4-15-11-9(13)6-8(12)7-10(11)14/h6-7,15H,3-5H2,1-2H3
InChIKeyNCQOTQHWRSXLRJ-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.97
LogP ≤ 54.34
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-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525062
N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525080
N',N'-diethyl-N-(2,4,6-tribromophenyl)ethane-1,2-diamine
CID 28992090
2,4,6-tribromo-N-(4-methylsulfanylbutyl)aniline
CID 103087337
1-N-[3-(dimethylamino)propyl]-2,6-difluorobenzene-1,4-diamine
CID 61016451
5-bromo-4-N-[3-(dimethylamino)propyl]pyridine-3,4-diamine
CID 103517564
N-methyl-4-(2,4,6-tribromoanilino)butanamide
CID 63891830
N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525087
4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine
CID 65343096
N-(4-bromo-2-ethylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525227
N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525201
5-(2,6-dibromo-4-methylanilino)pentan-1-ol
CID 62226962

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine (CID 114525073) is N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine is CN(C)CCCNc1c(Br)cc(Br)cc1Br.
What is the InChIKey of N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine?
The InChIKey is NCQOTQHWRSXLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br3N2/c1-16(2)5-3-4-15-11-9(13)6-8(12)7-10(11)14/h6-7,15H,3-5H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine?
N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine has a molecular weight of 414.97 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine is sourced from PubChem (CID 114525073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).