1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine

C10H18BrN3O — CID 65383740

IUPAC1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
SMILESCN(C)CCNC(CN)c1ccc(Br)o1
InChIInChI=1S/C10H18BrN3O/c1-14(2)6-5-13-8(7-12)9-3-4-10(11)15-9/h3-4,8,13H,5-7,12H2,1-2H3
InChIKeyQJMUOBBKBRILMJ-UHFFFAOYSA-N
MW276.18 g/mol
LogP1.19
Rot. Bonds6

About 1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine

1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine (PubChem CID 65383740) has the molecular formula C10H18BrN3O and a molecular weight of 276.18 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
PubChem CID65383740
Molecular FormulaC10H18BrN3O
Molecular Weight276.18 g/mol
Exact Mass275.06
IUPAC Name1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
SMILESCN(C)CCNC(CN)c1ccc(Br)o1
InChIInChI=1S/C10H18BrN3O/c1-14(2)6-5-13-8(7-12)9-3-4-10(11)15-9/h3-4,8,13H,5-7,12H2,1-2H3
InChIKeyQJMUOBBKBRILMJ-UHFFFAOYSA-N
XLogP1.19
TPSA54.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine (CID 65383740) is 1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine is CN(C)CCNC(CN)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine?
The InChIKey is QJMUOBBKBRILMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O/c1-14(2)6-5-13-8(7-12)9-3-4-10(11)15-9/h3-4,8,13H,5-7,12H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine?
1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine has a molecular weight of 276.18 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 65383740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).