N-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C13H22Br2N2O — CID 62085345

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCc1cc(Br)c(Br)o1)C(C)C
InChIInChI=1S/C13H22Br2N2O/c1-9(2)17(10(3)4)6-5-16-8-11-7-12(14)13(15)18-11/h7,9-10,16H,5-6,8H2,1-4H3
InChIKeyWZAAXEAEUYXGJB-UHFFFAOYSA-N
MW382.14 g/mol
LogP4.01
Rot. Bonds7

About N-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 62085345) has the molecular formula C13H22Br2N2O and a molecular weight of 382.14 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID62085345
Molecular FormulaC13H22Br2N2O
Molecular Weight382.14 g/mol
Exact Mass380.01
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCc1cc(Br)c(Br)o1)C(C)C
InChIInChI=1S/C13H22Br2N2O/c1-9(2)17(10(3)4)6-5-16-8-11-7-12(14)13(15)18-11/h7,9-10,16H,5-6,8H2,1-4H3
InChIKeyWZAAXEAEUYXGJB-UHFFFAOYSA-N
XLogP4.01
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.14
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4,5-dibromofuran-2-yl)methyl]-2-methylsulfanylethanamine
CID 63982243
N-[(3-bromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 103675162
N-[(4,5-dibromofuran-2-yl)methyl]-2,2-difluoroethanamine
CID 115406141
3-[(4,5-dibromofuran-2-yl)methylamino]-N,N-diethylpropanamide
CID 62083451
N-[(4,5-dibromofuran-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 55032641
4-[(4,5-dibromofuran-2-yl)methylamino]butanoic acid
CID 62083449
4-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylaniline
CID 62085887
N-[(4,5-dibromofuran-2-yl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62604246
1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105414898
N-[(4,5-dibromofuran-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 55202670
N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 62084806
2-[(4,5-dibromofuran-2-yl)methylamino]acetamide
CID 62083921

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 62085345) is N-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNCc1cc(Br)c(Br)o1)C(C)C.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is WZAAXEAEUYXGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Br2N2O/c1-9(2)17(10(3)4)6-5-16-8-11-7-12(14)13(15)18-11/h7,9-10,16H,5-6,8H2,1-4H3.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 382.14 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62085345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).