1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine

C13H20BrNS — CID 107011509

IUPAC1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1csc(Br)c1
InChIInChI=1S/C13H20BrNS/c1-3-4-5-6-7-8-12(15-2)11-9-13(14)16-10-11/h3,9-10,12,15H,1,4-8H2,2H3
InChIKeyXBXXDWKEQBMACL-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.91
Rot. Bonds8

About 1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine

1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine (PubChem CID 107011509) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine
PubChem CID107011509
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC Name1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine
SMILESC=CCCCCCC(NC)c1csc(Br)c1
InChIInChI=1S/C13H20BrNS/c1-3-4-5-6-7-8-12(15-2)11-9-13(14)16-10-11/h3,9-10,12,15H,1,4-8H2,2H3
InChIKeyXBXXDWKEQBMACL-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.91
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

1-(2,5-dibromothiophen-3-yl)-N-methyloct-7-en-1-amine
CID 114022243
1-(3-bromo-4-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107009594
1-(5-bromothiophen-3-yl)-N-methylhex-5-yn-1-amine
CID 105179686
1-(5-bromothiophen-3-yl)-N,4-dimethylpent-4-en-1-amine
CID 105182683
1-(4-bromo-2,6-difluorophenyl)-N-methyloct-7-en-1-amine
CID 107012101
N-methyl-1-(6-methyl-3-pyridinyl)oct-7-en-1-amine
CID 107011868
1-(3-bromo-5-chlorophenyl)-N-methylhex-5-en-1-amine
CID 107945974
1-(4-bromo-3-methylphenyl)-N-methylhex-5-en-1-amine
CID 104986986
1-(4-bromo-2-chlorophenyl)-N-methyloct-7-en-1-amine
CID 107011343
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine
CID 107011502
1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine
CID 105083401
1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine
CID 105124423

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine (CID 107011509) is 1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine is C=CCCCCCC(NC)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine?
The InChIKey is XBXXDWKEQBMACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-3-4-5-6-7-8-12(15-2)11-9-13(14)16-10-11/h3,9-10,12,15H,1,4-8H2,2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine?
1-(5-bromothiophen-3-yl)-N-methyloct-7-en-1-amine has a molecular weight of 302.28 g/mol, XLogP of 4.91, 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)-N-methyloct-7-en-1-amine is sourced from PubChem (CID 107011509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).