N'-(3-bromofuran-2-yl)propane-1,3-diamine

C7H11BrN2O — CID 63947993

IUPACN'-(3-bromofuran-2-yl)propane-1,3-diamine
SMILESNCCCNc1occc1Br
InChIInChI=1S/C7H11BrN2O/c8-6-2-5-11-7(6)10-4-1-3-9/h2,5,10H,1,3-4,9H2
InChIKeyHSTHLFAHGWQEBF-UHFFFAOYSA-N
MW219.08 g/mol
LogP1.80
Rot. Bonds4

About N'-(3-bromofuran-2-yl)propane-1,3-diamine

N'-(3-bromofuran-2-yl)propane-1,3-diamine (PubChem CID 63947993) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is N'-(3-bromofuran-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-bromofuran-2-yl)propane-1,3-diamine
PubChem CID63947993
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC NameN'-(3-bromofuran-2-yl)propane-1,3-diamine
SMILESNCCCNc1occc1Br
InChIInChI=1S/C7H11BrN2O/c8-6-2-5-11-7(6)10-4-1-3-9/h2,5,10H,1,3-4,9H2
InChIKeyHSTHLFAHGWQEBF-UHFFFAOYSA-N
XLogP1.80
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-bromofuran-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(3-bromofuran-2-yl)propane-1,3-diamine (CID 63947993) is N'-(3-bromofuran-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-bromofuran-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(3-bromofuran-2-yl)propane-1,3-diamine is NCCCNc1occc1Br.
What is the InChIKey of N'-(3-bromofuran-2-yl)propane-1,3-diamine?
The InChIKey is HSTHLFAHGWQEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O/c8-6-2-5-11-7(6)10-4-1-3-9/h2,5,10H,1,3-4,9H2.
What are the key properties of N'-(3-bromofuran-2-yl)propane-1,3-diamine?
N'-(3-bromofuran-2-yl)propane-1,3-diamine has a molecular weight of 219.08 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromofuran-2-yl)propane-1,3-diamine is sourced from PubChem (CID 63947993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).