N-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine

C13H20Br2N2O — CID 62085573

IUPACN-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(C1CC1)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C13H20Br2N2O/c1-8(2)7-17(9-3-4-9)11(6-16)12-5-10(14)13(15)18-12/h5,8-9,11H,3-4,6-7,16H2,1-2H3
InChIKeyUKVBFYVEUDNZHQ-UHFFFAOYSA-N
MW380.12 g/mol
LogP3.92
Rot. Bonds6

About N-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine

N-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62085573) has the molecular formula C13H20Br2N2O and a molecular weight of 380.12 g/mol. Its IUPAC name is N-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62085573
Molecular FormulaC13H20Br2N2O
Molecular Weight380.12 g/mol
Exact Mass377.99
IUPAC NameN-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(C1CC1)C(CN)c1cc(Br)c(Br)o1
InChIInChI=1S/C13H20Br2N2O/c1-8(2)7-17(9-3-4-9)11(6-16)12-5-10(14)13(15)18-12/h5,8-9,11H,3-4,6-7,16H2,1-2H3
InChIKeyUKVBFYVEUDNZHQ-UHFFFAOYSA-N
XLogP3.92
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.12
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-(4,5-dibromofuran-2-yl)-N-ethylethane-1,2-diamine
CID 62084882
1-(4,5-dibromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62085568
N-cyclopropyl-1-(3,5-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55001719
1-(4,5-dibromofuran-2-yl)-N,N-diethylethane-1,2-diamine
CID 62084855
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002447
1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 102839739
N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 106528739
1-(4,5-dibromofuran-2-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63982675
N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 79984037
N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002202
1-(4,5-dibromofuran-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62085222
1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 115380381

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 62085573) is N-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(C1CC1)C(CN)c1cc(Br)c(Br)o1.
What is the InChIKey of N-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is UKVBFYVEUDNZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Br2N2O/c1-8(2)7-17(9-3-4-9)11(6-16)12-5-10(14)13(15)18-12/h5,8-9,11H,3-4,6-7,16H2,1-2H3.
What are the key properties of N-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
N-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 380.12 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4,5-dibromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62085573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).