1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine

C13H20BrNO — CID 104986700

IUPAC1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1ccc(Br)o1
InChIInChI=1S/C13H20BrNO/c1-3-5-6-7-11(15-10-4-2)12-8-9-13(14)16-12/h3,8-9,11,15H,1,4-7,10H2,2H3
InChIKeyNRCSXGBVVDJCKD-UHFFFAOYSA-N
MW286.21 g/mol
LogP4.44
Rot. Bonds8

About 1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine

1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine (PubChem CID 104986700) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine
PubChem CID104986700
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine
SMILESC=CCCCC(NCCC)c1ccc(Br)o1
InChIInChI=1S/C13H20BrNO/c1-3-5-6-7-11(15-10-4-2)12-8-9-13(14)16-12/h3,8-9,11,15H,1,4-7,10H2,2H3
InChIKeyNRCSXGBVVDJCKD-UHFFFAOYSA-N
XLogP4.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-bromofuran-2-yl)-2-ethoxyethyl]propan-1-amine
CID 105007868
1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine
CID 82801652
1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine
CID 104986877
1-(2-bromophenyl)-N-propyloct-7-en-1-amine
CID 107008962
1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 105153281
1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine
CID 105153151
1-(1-benzofuran-2-yl)-N-propyloct-7-en-1-amine
CID 107009087
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylhex-5-en-1-amine
CID 104986677
1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine
CID 104986628
1-(5-bromo-2-methylphenyl)-N-propyloct-7-en-1-amine
CID 107011647
1-(1-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 65197711
1-(5-bromofuran-2-yl)hexylhydrazine
CID 105294743

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine (CID 104986700) is 1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine is C=CCCCC(NCCC)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine?
The InChIKey is NRCSXGBVVDJCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-3-5-6-7-11(15-10-4-2)12-8-9-13(14)16-12/h3,8-9,11,15H,1,4-7,10H2,2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine?
1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine has a molecular weight of 286.21 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-propylhex-5-en-1-amine is sourced from PubChem (CID 104986700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).