1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine

C11H18BrNO — CID 115861224

IUPAC1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)c1occc1Br
InChIInChI=1S/C11H18BrNO/c1-4-5-8(2)10(13-3)11-9(12)6-7-14-11/h6-8,10,13H,4-5H2,1-3H3
InChIKeySZOIKNHJZSKILP-UHFFFAOYSA-N
MW260.17 g/mol
LogP3.74
Rot. Bonds5

About 1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine

1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine (PubChem CID 115861224) has the molecular formula C11H18BrNO and a molecular weight of 260.17 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine
PubChem CID115861224
Molecular FormulaC11H18BrNO
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine
SMILESCCCC(C)C(NC)c1occc1Br
InChIInChI=1S/C11H18BrNO/c1-4-5-8(2)10(13-3)11-9(12)6-7-14-11/h6-8,10,13H,4-5H2,1-3H3
InChIKeySZOIKNHJZSKILP-UHFFFAOYSA-N
XLogP3.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 63943232
1-(3-bromofuran-2-yl)-2,2-dimethoxy-N-methylethanamine
CID 79492649
1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116719920
1-(3-bromofuran-2-yl)pentane-1,2-diol
CID 103454948
[1-(3-bromofuran-2-yl)-2-methoxypentyl]hydrazine
CID 105271903
1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 63943593
3-(3-bromofuran-2-yl)-N-ethylbutan-1-amine
CID 81019380
1-(3-bromofuran-2-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105150536
1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346309
1-(3-bromo-5-methylthiophen-2-yl)-N,2-dimethylpentan-1-amine
CID 65279348
ethyl 2-(3-bromofuran-2-yl)pentanoate
CID 83042433
1-(3-bromofuran-2-yl)hexan-1-amine
CID 115861654

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine (CID 115861224) is 1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine is CCCC(C)C(NC)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine?
The InChIKey is SZOIKNHJZSKILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO/c1-4-5-8(2)10(13-3)11-9(12)6-7-14-11/h6-8,10,13H,4-5H2,1-3H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine?
1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine has a molecular weight of 260.17 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 115861224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).