1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine

C10H17BrN2O — CID 79053885

IUPAC1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)C(N)c1occc1Br
InChIInChI=1S/C10H17BrN2O/c1-10(2,13(3)4)9(12)8-7(11)5-6-14-8/h5-6,9H,12H2,1-4H3
InChIKeySVCYFQKNPIWTPW-UHFFFAOYSA-N
MW261.16 g/mol
LogP2.38
Rot. Bonds3

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

1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 79053885) has the molecular formula C10H17BrN2O and a molecular weight of 261.16 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID79053885
Molecular FormulaC10H17BrN2O
Molecular Weight261.16 g/mol
Exact Mass260.05
IUPAC Name1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)C(N)c1occc1Br
InChIInChI=1S/C10H17BrN2O/c1-10(2,13(3)4)9(12)8-7(11)5-6-14-8/h5-6,9H,12H2,1-4H3
InChIKeySVCYFQKNPIWTPW-UHFFFAOYSA-N
XLogP2.38
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 79053885) is 1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)C(N)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is SVCYFQKNPIWTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O/c1-10(2,13(3)4)9(12)8-7(11)5-6-14-8/h5-6,9H,12H2,1-4H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 261.16 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 79053885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).