1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine

C9H15BrN2O — CID 106885701

IUPAC1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NC(CN)c1occc1Br
InChIInChI=1S/C9H15BrN2O/c1-6(2)12-8(5-11)9-7(10)3-4-13-9/h3-4,6,8,12H,5,11H2,1-2H3
InChIKeyVXNGFWVILBGVRA-UHFFFAOYSA-N
MW247.14 g/mol
LogP2.04
Rot. Bonds4

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

1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 106885701) has the molecular formula C9H15BrN2O and a molecular weight of 247.14 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine
PubChem CID106885701
Molecular FormulaC9H15BrN2O
Molecular Weight247.14 g/mol
Exact Mass246.04
IUPAC Name1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NC(CN)c1occc1Br
InChIInChI=1S/C9H15BrN2O/c1-6(2)12-8(5-11)9-7(10)3-4-13-9/h3-4,6,8,12H,5,11H2,1-2H3
InChIKeyVXNGFWVILBGVRA-UHFFFAOYSA-N
XLogP2.04
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 106885776
3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol
CID 106889652
1-(3-bromofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 63943232
[1-(3-bromofuran-2-yl)-3-methylpentyl]hydrazine
CID 105309164
[1-(3-bromofuran-2-yl)-2-methoxyethyl]hydrazine
CID 105207395
1-(3-bromofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63943052
1-(3-bromofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 65131664
N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine
CID 115704758
2-(azocan-1-yl)-2-(3-bromofuran-2-yl)ethanamine
CID 106885572
1-(3-bromofuran-2-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346309
1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine
CID 63942655
3-(3-bromofuran-2-yl)-2-methylpropan-1-amine
CID 64664322

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine (CID 106885701) is 1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine is CC(C)NC(CN)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is VXNGFWVILBGVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O/c1-6(2)12-8(5-11)9-7(10)3-4-13-9/h3-4,6,8,12H,5,11H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine?
1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 247.14 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 106885701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).