N-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide

C6H17Br3N2 — CID 52995491

IUPACN-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide
SMILESBr.Br.CN(C)CCNCCBr
InChIInChI=1S/C6H15BrN2.2BrH/c1-9(2)6-5-8-4-3-7;;/h8H,3-6H2,1-2H3;2*1H
InChIKeyDJYHGMPVCVFQSM-UHFFFAOYSA-N
MW356.93 g/mol
LogP1.69
Rot. Bonds5

About N-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide

N-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide (PubChem CID 52995491) has the molecular formula C6H17Br3N2 and a molecular weight of 356.93 g/mol. Its IUPAC name is N-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide
PubChem CID52995491
Molecular FormulaC6H17Br3N2
Molecular Weight356.93 g/mol
Exact Mass353.89
IUPAC NameN-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide
SMILESBr.Br.CN(C)CCNCCBr
InChIInChI=1S/C6H15BrN2.2BrH/c1-9(2)6-5-8-4-3-7;;/h8H,3-6H2,1-2H3;2*1H
InChIKeyDJYHGMPVCVFQSM-UHFFFAOYSA-N
XLogP1.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.93
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
N-(2-bromoethyl)-N',N'-dipropylethane-1,2-diamine
CID 46738413
N-[2-[ethyl(propyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62573813
N-[2-(dibutylamino)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55085123
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine
CID 134394080
N',N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]ethane-1,2-diamine
CID 62559325
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N-[2-[2-(dimethylamino)ethylamino]ethyl]methanesulfonamide
CID 43546052
N',N'-dimethyl-N-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]ethane-1,2-diamine
CID 112666040

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide?
The IUPAC name of N-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide (CID 52995491) is N-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide.
What is the SMILES notation for N-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide?
The canonical SMILES for N-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide is Br.Br.CN(C)CCNCCBr.
What is the InChIKey of N-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide?
The InChIKey is DJYHGMPVCVFQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BrN2.2BrH/c1-9(2)6-5-8-4-3-7;;/h8H,3-6H2,1-2H3;2*1H.
What are the key properties of N-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide?
N-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide has a molecular weight of 356.93 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N',N'-dimethylethane-1,2-diamine;dihydrobromide is sourced from PubChem (CID 52995491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).