1-(4-bromothiophen-2-yl)oct-7-en-1-amine

C12H18BrNS — CID 107009134

IUPAC1-(4-bromothiophen-2-yl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1cc(Br)cs1
InChIInChI=1S/C12H18BrNS/c1-2-3-4-5-6-7-11(14)12-8-10(13)9-15-12/h2,8-9,11H,1,3-7,14H2
InChIKeyXECXZQHDDGKDMF-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.65
Rot. Bonds7

About 1-(4-bromothiophen-2-yl)oct-7-en-1-amine

1-(4-bromothiophen-2-yl)oct-7-en-1-amine (PubChem CID 107009134) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)oct-7-en-1-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)oct-7-en-1-amine
PubChem CID107009134
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name1-(4-bromothiophen-2-yl)oct-7-en-1-amine
SMILESC=CCCCCCC(N)c1cc(Br)cs1
InChIInChI=1S/C12H18BrNS/c1-2-3-4-5-6-7-11(14)12-8-10(13)9-15-12/h2,8-9,11H,1,3-7,14H2
InChIKeyXECXZQHDDGKDMF-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.65
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

(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
(4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171198523
1-(2,4-dibromophenyl)oct-7-en-1-amine
CID 107947175
1-(4-bromothiophen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 65095567
1-(4-bromo-3-methylphenyl)oct-7-en-1-amine
CID 107012120
octadec-17-ene-1,1-diamine
CID 87111501
1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine
CID 107011509
(1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine
CID 171215559
1-[(1R)-1-(4-bromothiophen-2-yl)pent-4-enyl]piperazine
CID 171285422
(1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride
CID 171235193
1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 65164817
1-(4-ethylphenyl)oct-7-en-1-amine
CID 107008823

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)oct-7-en-1-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)oct-7-en-1-amine (CID 107009134) is 1-(4-bromothiophen-2-yl)oct-7-en-1-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)oct-7-en-1-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)oct-7-en-1-amine is C=CCCCCCC(N)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)oct-7-en-1-amine?
The InChIKey is XECXZQHDDGKDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-2-3-4-5-6-7-11(14)12-8-10(13)9-15-12/h2,8-9,11H,1,3-7,14H2.
What are the key properties of 1-(4-bromothiophen-2-yl)oct-7-en-1-amine?
1-(4-bromothiophen-2-yl)oct-7-en-1-amine has a molecular weight of 288.25 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)oct-7-en-1-amine is sourced from PubChem (CID 107009134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).