N'-(2-bromoethyl)ethane-1,2-diamine

C4H11BrN2 — CID 11788500

IUPACN'-(2-bromoethyl)ethane-1,2-diamine
SMILESNCCNCCBr
InChIInChI=1S/C4H11BrN2/c5-1-3-7-4-2-6/h7H,1-4,6H2
InChIKeyZTBMEKKRXNSSBS-UHFFFAOYSA-N
MW167.05 g/mol
LogP-0.07
Rot. Bonds4

About N'-(2-bromoethyl)ethane-1,2-diamine

N'-(2-bromoethyl)ethane-1,2-diamine (PubChem CID 11788500) has the molecular formula C4H11BrN2 and a molecular weight of 167.05 g/mol. Its IUPAC name is N'-(2-bromoethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-bromoethyl)ethane-1,2-diamine
PubChem CID11788500
Molecular FormulaC4H11BrN2
Molecular Weight167.05 g/mol
Exact Mass166.01
IUPAC NameN'-(2-bromoethyl)ethane-1,2-diamine
SMILESNCCNCCBr
InChIInChI=1S/C4H11BrN2/c5-1-3-7-4-2-6/h7H,1-4,6H2
InChIKeyZTBMEKKRXNSSBS-UHFFFAOYSA-N
XLogP-0.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.05
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
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'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
bis(N'-(2-aminoethyl)ethane-1,2-diamine);antimony(5+);dysprosium(3+);tetrasulfide
CID 139196463
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(2-fluoroethyl)ethane-1,2-diamine
CID 80696987
dodecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;tetraborate
CID 159570968
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;antimony(5+);ethane-1,2-diamine;lanthanum(3+);tetrakis(selenium(2-))
CID 139165833
N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine
CID 123161317
N-(2-bromoethyl)octan-1-amine
CID 115573283

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromoethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-bromoethyl)ethane-1,2-diamine (CID 11788500) is N'-(2-bromoethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-bromoethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-bromoethyl)ethane-1,2-diamine is NCCNCCBr.
What is the InChIKey of N'-(2-bromoethyl)ethane-1,2-diamine?
The InChIKey is ZTBMEKKRXNSSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11BrN2/c5-1-3-7-4-2-6/h7H,1-4,6H2.
What are the key properties of N'-(2-bromoethyl)ethane-1,2-diamine?
N'-(2-bromoethyl)ethane-1,2-diamine has a molecular weight of 167.05 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromoethyl)ethane-1,2-diamine is sourced from PubChem (CID 11788500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).