N-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine

C13H18Br2N2O — CID 106173166

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine
SMILESNCC(NCCC1=CCCC1)c1cc(Br)c(Br)o1
InChIInChI=1S/C13H18Br2N2O/c14-10-7-12(18-13(10)15)11(8-16)17-6-5-9-3-1-2-4-9/h3,7,11,17H,1-2,4-6,8,16H2
InChIKeyDOGHOGQSMZTRAU-UHFFFAOYSA-N
MW378.11 g/mol
LogP3.89
Rot. Bonds6

About N-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine

N-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine (PubChem CID 106173166) has the molecular formula C13H18Br2N2O and a molecular weight of 378.11 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine
PubChem CID106173166
Molecular FormulaC13H18Br2N2O
Molecular Weight378.11 g/mol
Exact Mass375.98
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine
SMILESNCC(NCCC1=CCCC1)c1cc(Br)c(Br)o1
InChIInChI=1S/C13H18Br2N2O/c14-10-7-12(18-13(10)15)11(8-16)17-6-5-9-3-1-2-4-9/h3,7,11,17H,1-2,4-6,8,16H2
InChIKeyDOGHOGQSMZTRAU-UHFFFAOYSA-N
XLogP3.89
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.11
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 106173196
1-(3-chloro-4-methylphenyl)-N-[2-(cyclopenten-1-yl)ethyl]ethane-1,2-diamine
CID 106173322
1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65384977
2-(cyclohexen-1-yl)-N-[(4,5-dibromofuran-2-yl)methyl]ethanamine
CID 55032546
N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 106173203
N-[2-(cyclopenten-1-yl)ethyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 106173235
N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine
CID 106173418
1-(3-bromofuran-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 115895910
N-[2-(cyclopenten-1-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 106169372
N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine
CID 103843122
1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 106168908
1-(3-bromo-4-methoxyphenyl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 106170053

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine (CID 106173166) is N-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine is NCC(NCCC1=CCCC1)c1cc(Br)c(Br)o1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine?
The InChIKey is DOGHOGQSMZTRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O/c14-10-7-12(18-13(10)15)11(8-16)17-6-5-9-3-1-2-4-9/h3,7,11,17H,1-2,4-6,8,16H2.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine?
N-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine has a molecular weight of 378.11 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 106173166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).