N,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine

C12H24Br4N2 — CID 58300614

IUPACN,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine
SMILESBrCCN(CCBr)CCCCN(CCBr)CCBr
InChIInChI=1S/C12H24Br4N2/c13-3-9-17(10-4-14)7-1-2-8-18(11-5-15)12-6-16/h1-12H2
InChIKeyQDFWFCDWGPSJBN-UHFFFAOYSA-N
MW515.95 g/mol
LogP3.95
Rot. Bonds13

About N,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine

N,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine (PubChem CID 58300614) has the molecular formula C12H24Br4N2 and a molecular weight of 515.95 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine
PubChem CID58300614
Molecular FormulaC12H24Br4N2
Molecular Weight515.95 g/mol
Exact Mass511.87
IUPAC NameN,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine
SMILESBrCCN(CCBr)CCCCN(CCBr)CCBr
InChIInChI=1S/C12H24Br4N2/c13-3-9-17(10-4-14)7-1-2-8-18(11-5-15)12-6-16/h1-12H2
InChIKeyQDFWFCDWGPSJBN-UHFFFAOYSA-N
XLogP3.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.95
LogP ≤ 53.95
H-Bond Donors ≤ 50
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-bromoethyl)-N-propyloctan-1-amine
CID 80680476
N',N'-bis(2-bromoethyl)propane-1,3-diamine;dihydrobromide
CID 170557636
N-(2-bromoethyl)-N-propylbutan-1-amine
CID 80672792
N-(2-bromoethyl)-N-(2,2-difluoroethyl)heptan-1-amine
CID 107487527
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)octan-1-amine
CID 107488181
N,N-dipentyltridecan-1-amine
CID 139723521
N,N,N',N'-tetrakis[2-[bis(2-iodoethyl)amino]ethyl]butane-1,4-diamine
CID 58300626
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
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
8-chloro-N,N-bis(8-chlorooctyl)octan-1-amine
CID 170325577

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine?
The IUPAC name of N,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine (CID 58300614) is N,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine?
The canonical SMILES for N,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine is BrCCN(CCBr)CCCCN(CCBr)CCBr.
What is the InChIKey of N,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine?
The InChIKey is QDFWFCDWGPSJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Br4N2/c13-3-9-17(10-4-14)7-1-2-8-18(11-5-15)12-6-16/h1-12H2.
What are the key properties of N,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine?
N,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine has a molecular weight of 515.95 g/mol, XLogP of 3.95, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(2-bromoethyl)butane-1,4-diamine is sourced from PubChem (CID 58300614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).