1-(2-bromofuran-3-yl)pent-3-yn-1-amine

C9H10BrNO — CID 106857125

IUPAC1-(2-bromofuran-3-yl)pent-3-yn-1-amine
SMILESCC#CCC(N)c1ccoc1Br
InChIInChI=1S/C9H10BrNO/c1-2-3-4-8(11)7-5-6-12-9(7)10/h5-6,8H,4,11H2,1H3
InChIKeyLXXPYRBIOXBTJU-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.46
Rot. Bonds2

About 1-(2-bromofuran-3-yl)pent-3-yn-1-amine

1-(2-bromofuran-3-yl)pent-3-yn-1-amine (PubChem CID 106857125) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)pent-3-yn-1-amine.

Molecular Properties

Compound Name1-(2-bromofuran-3-yl)pent-3-yn-1-amine
PubChem CID106857125
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name1-(2-bromofuran-3-yl)pent-3-yn-1-amine
SMILESCC#CCC(N)c1ccoc1Br
InChIInChI=1S/C9H10BrNO/c1-2-3-4-8(11)7-5-6-12-9(7)10/h5-6,8H,4,11H2,1H3
InChIKeyLXXPYRBIOXBTJU-UHFFFAOYSA-N
XLogP2.46
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromofuran-3-yl)propan-1-amine
CID 103846080
1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine
CID 106857415
1-(2-bromofuran-3-yl)octan-1-amine
CID 106857217
1-(2-bromofuran-3-yl)prop-2-en-1-amine
CID 103846063
(2-bromofuran-3-yl)-(2-methylphenyl)methanamine
CID 106856979
1-(2-chloro-3-fluorophenyl)pent-3-yn-1-amine
CID 115819719
1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine
CID 115819722
1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine
CID 105112231
1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine
CID 106857738
1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine
CID 106854638
1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064617
1-(2-bromofuran-3-yl)-2-naphthalen-2-ylethanamine
CID 106854636

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)pent-3-yn-1-amine?
The IUPAC name of 1-(2-bromofuran-3-yl)pent-3-yn-1-amine (CID 106857125) is 1-(2-bromofuran-3-yl)pent-3-yn-1-amine.
What is the SMILES notation for 1-(2-bromofuran-3-yl)pent-3-yn-1-amine?
The canonical SMILES for 1-(2-bromofuran-3-yl)pent-3-yn-1-amine is CC#CCC(N)c1ccoc1Br.
What is the InChIKey of 1-(2-bromofuran-3-yl)pent-3-yn-1-amine?
The InChIKey is LXXPYRBIOXBTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-2-3-4-8(11)7-5-6-12-9(7)10/h5-6,8H,4,11H2,1H3.
What are the key properties of 1-(2-bromofuran-3-yl)pent-3-yn-1-amine?
1-(2-bromofuran-3-yl)pent-3-yn-1-amine has a molecular weight of 228.09 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-yl)pent-3-yn-1-amine is sourced from PubChem (CID 106857125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).