N-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine

C12H19BrN2O — CID 116651570

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCC(c1ccc(Br)o1)N(C)C(CN)C1CC1
InChIInChI=1S/C12H19BrN2O/c1-8(11-5-6-12(13)16-11)15(2)10(7-14)9-3-4-9/h5-6,8-10H,3-4,7,14H2,1-2H3
InChIKeyVSOKBMPYQGENLE-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.77
Rot. Bonds5

About N-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine

N-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine (PubChem CID 116651570) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine
PubChem CID116651570
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCC(c1ccc(Br)o1)N(C)C(CN)C1CC1
InChIInChI=1S/C12H19BrN2O/c1-8(11-5-6-12(13)16-11)15(2)10(7-14)9-3-4-9/h5-6,8-10H,3-4,7,14H2,1-2H3
InChIKeyVSOKBMPYQGENLE-UHFFFAOYSA-N
XLogP2.77
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine (CID 116651570) is N-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine is CC(c1ccc(Br)o1)N(C)C(CN)C1CC1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The InChIKey is VSOKBMPYQGENLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-8(11-5-6-12(13)16-11)15(2)10(7-14)9-3-4-9/h5-6,8-10H,3-4,7,14H2,1-2H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
N-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine has a molecular weight of 287.20 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 116651570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).