1-(3-bromofuran-2-yl)hexan-1-amine

C10H16BrNO — CID 115861654

IUPAC1-(3-bromofuran-2-yl)hexan-1-amine
SMILESCCCCCC(N)c1occc1Br
InChIInChI=1S/C10H16BrNO/c1-2-3-4-5-9(12)10-8(11)6-7-13-10/h6-7,9H,2-5,12H2,1H3
InChIKeyMTIWYVLHWSNZFE-UHFFFAOYSA-N
MW246.15 g/mol
LogP3.62
Rot. Bonds5

About 1-(3-bromofuran-2-yl)hexan-1-amine

1-(3-bromofuran-2-yl)hexan-1-amine (PubChem CID 115861654) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)hexan-1-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)hexan-1-amine
PubChem CID115861654
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC Name1-(3-bromofuran-2-yl)hexan-1-amine
SMILESCCCCCC(N)c1occc1Br
InChIInChI=1S/C10H16BrNO/c1-2-3-4-5-9(12)10-8(11)6-7-13-10/h6-7,9H,2-5,12H2,1H3
InChIKeyMTIWYVLHWSNZFE-UHFFFAOYSA-N
XLogP3.62
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromofuran-3-yl)octan-1-amine
CID 106857217
1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine
CID 63942655
1-(3-bromofuran-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103149051
(1S)-1-(3,4-dibromophenyl)hexan-1-amine
CID 171235073
1-(furan-2-yl)decan-1-amine
CID 62716123
1-(2-bromophenyl)hexan-1-amine
CID 62604682
(1S)-1-(furan-2-yl)octan-1-amine
CID 98686139
1-(3-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105150533
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
1-(3-bromofuran-2-yl)-3-ethylheptan-1-ol
CID 106886301
1-(3-bromofuran-2-yl)pentane-1,2-diol
CID 103454948

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)hexan-1-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)hexan-1-amine (CID 115861654) is 1-(3-bromofuran-2-yl)hexan-1-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)hexan-1-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)hexan-1-amine is CCCCCC(N)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)hexan-1-amine?
The InChIKey is MTIWYVLHWSNZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-2-3-4-5-9(12)10-8(11)6-7-13-10/h6-7,9H,2-5,12H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)hexan-1-amine?
1-(3-bromofuran-2-yl)hexan-1-amine has a molecular weight of 246.15 g/mol, XLogP of 3.62, 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)hexan-1-amine is sourced from PubChem (CID 115861654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).