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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).