1-(5-bromothiophen-3-yl)nonan-1-amine

C13H22BrNS — CID 105128036

IUPAC1-(5-bromothiophen-3-yl)nonan-1-amine
SMILESCCCCCCCCC(N)c1csc(Br)c1
InChIInChI=1S/C13H22BrNS/c1-2-3-4-5-6-7-8-12(15)11-9-13(14)16-10-11/h9-10,12H,2-8,15H2,1H3
InChIKeyWTCLGZDQUJHNRC-UHFFFAOYSA-N
MW304.30 g/mol
LogP5.26
Rot. Bonds8

About 1-(5-bromothiophen-3-yl)nonan-1-amine

1-(5-bromothiophen-3-yl)nonan-1-amine (PubChem CID 105128036) has the molecular formula C13H22BrNS and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)nonan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)nonan-1-amine
PubChem CID105128036
Molecular FormulaC13H22BrNS
Molecular Weight304.30 g/mol
Exact Mass303.07
IUPAC Name1-(5-bromothiophen-3-yl)nonan-1-amine
SMILESCCCCCCCCC(N)c1csc(Br)c1
InChIInChI=1S/C13H22BrNS/c1-2-3-4-5-6-7-8-12(15)11-9-13(14)16-10-11/h9-10,12H,2-8,15H2,1H3
InChIKeyWTCLGZDQUJHNRC-UHFFFAOYSA-N
XLogP5.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.30
LogP ≤ 55.26
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-(5-bromothiophen-3-yl)-N-propyldecan-1-amine
CID 105124423
1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine
CID 105129603
1-(4-bromo-3,5-dimethylphenyl)heptan-1-amine
CID 114330157
2-bromo-4-(2-decyltetradecyl)thiophene
CID 129019382
(1S)-1-(4-bromophenyl)hexan-1-amine
CID 28979678
(1R)-1-(4-bromophenyl)hexan-1-amine
CID 28979676
1-(5-bromothiophen-3-yl)pent-4-yn-1-amine
CID 105149125
(1R)-1-(5-nitrothiophen-3-yl)hexan-1-amine;hydrochloride
CID 171216686
1-(3-bromophenyl)heptan-1-amine
CID 62602381
1-(3-bromophenyl)tridecan-1-amine
CID 63412351
1-(2,5-dibromothiophen-3-yl)decan-1-amine
CID 65447630
1-phenyldecan-1-amine
CID 43175860

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)nonan-1-amine?
The IUPAC name of 1-(5-bromothiophen-3-yl)nonan-1-amine (CID 105128036) is 1-(5-bromothiophen-3-yl)nonan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)nonan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)nonan-1-amine is CCCCCCCCC(N)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)nonan-1-amine?
The InChIKey is WTCLGZDQUJHNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNS/c1-2-3-4-5-6-7-8-12(15)11-9-13(14)16-10-11/h9-10,12H,2-8,15H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)nonan-1-amine?
1-(5-bromothiophen-3-yl)nonan-1-amine has a molecular weight of 304.30 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)nonan-1-amine is sourced from PubChem (CID 105128036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).