N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide

C7H18Br4N2 — CID 170557636

IUPACN',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide
SMILESBr.Br.NCCCN(CCBr)CCBr
InChIInChI=1S/C7H16Br2N2.2BrH/c8-2-6-11(7-3-9)5-1-4-10;;/h1-7,10H2;2*1H
InChIKeyFUKPTUICKBIKKB-UHFFFAOYSA-N
MW449.85 g/mol
LogP2.58
Rot. Bonds7

About N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide

N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide (PubChem CID 170557636) has the molecular formula C7H18Br4N2 and a molecular weight of 449.85 g/mol. Its IUPAC name is N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide.

Molecular Properties

Compound NameN',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide
PubChem CID170557636
Molecular FormulaC7H18Br4N2
Molecular Weight449.85 g/mol
Exact Mass445.82
IUPAC NameN',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide
SMILESBr.Br.NCCCN(CCBr)CCBr
InChIInChI=1S/C7H16Br2N2.2BrH/c8-2-6-11(7-3-9)5-1-4-10;;/h1-7,10H2;2*1H
InChIKeyFUKPTUICKBIKKB-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.85
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(3-aminopropyl)-N'-[3-[bis(3-aminopropyl)amino]propyl]-N'-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[4-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]butyl]amino]propyl]butane-1,4-diamine
CID 118403322
methane;N,N,N',N'-tetrakis(3-aminopropyl)butane-1,4-diamine
CID 158129365
N,N,N',N'-tetrakis(3-aminopropyl)decane-1,10-diamine
CID 87383613
N,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine
CID 58300614
N',N'-bis(6-aminohexyl)hexane-1,6-diamine
CID 21260857
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
2-[bis(3-aminopropyl)amino]ethanol
CID 19359070
N,N',N'-tris(3-aminopropyl)butane-1,4-diamine
CID 86175000
N'-(3-aminopropyl)-N'-[3-[3-[bis(3-aminopropyl)amino]propyl-[3-[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl-[3-[3-[bis[3-[bis[3-[bis(3-aminopropyl)amino]propyl]amino]propyl]amino]propyl-ethylamino]propyl]amino]propyl]amino]propyl]propane-1,3-diamine
CID 59097400
N',N'-diheptylpropane-1,3-diamine
CID 22251174
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
N-(7-aminoheptyl)-N'-(3-aminopropyl)-N-[3-(3-aminopropylamino)propyl]-N'-[3-[bis(7-aminoheptyl)amino]propyl]undecane-1,11-diamine
CID 58309879

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide?
The IUPAC name of N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide (CID 170557636) is N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide.
What is the SMILES notation for N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide?
The canonical SMILES for N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide is Br.Br.NCCCN(CCBr)CCBr.
What is the InChIKey of N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide?
The InChIKey is FUKPTUICKBIKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16Br2N2.2BrH/c8-2-6-11(7-3-9)5-1-4-10;;/h1-7,10H2;2*1H.
What are the key properties of N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide?
N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide has a molecular weight of 449.85 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide is sourced from PubChem (CID 170557636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).