1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine

C11H16BrNO — CID 116660927

IUPAC1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)c1occc1Br
InChIInChI=1S/C11H16BrNO/c1-3-5-10(13-7-4-2)11-9(12)6-8-14-11/h3,6,8,10,13H,1,4-5,7H2,2H3
InChIKeyUJQBHBXSENLQDP-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.66
Rot. Bonds6

About 1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine

1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine (PubChem CID 116660927) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine
PubChem CID116660927
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)c1occc1Br
InChIInChI=1S/C11H16BrNO/c1-3-5-10(13-7-4-2)11-9(12)6-8-14-11/h3,6,8,10,13H,1,4-5,7H2,2H3
InChIKeyUJQBHBXSENLQDP-UHFFFAOYSA-N
XLogP3.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-bromofuran-2-yl)-2-(4-bromophenyl)sulfanylethyl]propan-1-amine
CID 66054930
1-(3-bromofuran-2-yl)-3-ethoxy-N-propylpropan-1-amine
CID 105150455
1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105150562
N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63943030
N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63944020
N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)sulfanylethyl]propan-1-amine
CID 66145552
1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine
CID 63943410
1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine
CID 115814330
1-(3,5-dibromophenyl)-N-propylbut-3-en-1-amine
CID 107973949
N-[(3-bromofuran-2-yl)-cyclopropylmethyl]propan-1-amine
CID 63942450
N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 106692103
1-(2-bromo-5-fluorophenyl)-N-propylbut-3-en-1-amine
CID 115815047

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine (CID 116660927) is 1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine is C=CCC(NCCC)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine?
The InChIKey is UJQBHBXSENLQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-5-10(13-7-4-2)11-9(12)6-8-14-11/h3,6,8,10,13H,1,4-5,7H2,2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine?
1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine has a molecular weight of 258.16 g/mol, XLogP of 3.66, 6 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-propylbut-3-en-1-amine is sourced from PubChem (CID 116660927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).