1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine

C11H16Br2N2O — CID 116651521

IUPAC1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine
SMILESCN(Cc1cc(Br)c(Br)o1)C(CN)C1CC1
InChIInChI=1S/C11H16Br2N2O/c1-15(10(5-14)7-2-3-7)6-8-4-9(12)11(13)16-8/h4,7,10H,2-3,5-6,14H2,1H3
InChIKeyCDXAPRYCBRAQMH-UHFFFAOYSA-N
MW352.07 g/mol
LogP2.97
Rot. Bonds5

About 1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine

1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine (PubChem CID 116651521) has the molecular formula C11H16Br2N2O and a molecular weight of 352.07 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine
PubChem CID116651521
Molecular FormulaC11H16Br2N2O
Molecular Weight352.07 g/mol
Exact Mass349.96
IUPAC Name1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine
SMILESCN(Cc1cc(Br)c(Br)o1)C(CN)C1CC1
InChIInChI=1S/C11H16Br2N2O/c1-15(10(5-14)7-2-3-7)6-8-4-9(12)11(13)16-8/h4,7,10H,2-3,5-6,14H2,1H3
InChIKeyCDXAPRYCBRAQMH-UHFFFAOYSA-N
XLogP2.97
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.07
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine (CID 116651521) is 1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine is CN(Cc1cc(Br)c(Br)o1)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is CDXAPRYCBRAQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O/c1-15(10(5-14)7-2-3-7)6-8-4-9(12)11(13)16-8/h4,7,10H,2-3,5-6,14H2,1H3.
What are the key properties of 1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine?
1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 352.07 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 116651521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).