(2-bromo-5-hexylthiophen-3-yl)methanamine

C11H18BrNS — CID 114748653

IUPAC(2-bromo-5-hexylthiophen-3-yl)methanamine
SMILESCCCCCCc1cc(CN)c(Br)s1
InChIInChI=1S/C11H18BrNS/c1-2-3-4-5-6-10-7-9(8-13)11(12)14-10/h7H,2-6,8,13H2,1H3
InChIKeyOEQKCUGVWIISEU-UHFFFAOYSA-N
MW276.24 g/mol
LogP4.09
Rot. Bonds6

About (2-bromo-5-hexylthiophen-3-yl)methanamine

(2-bromo-5-hexylthiophen-3-yl)methanamine (PubChem CID 114748653) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is (2-bromo-5-hexylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-hexylthiophen-3-yl)methanamine
PubChem CID114748653
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC Name(2-bromo-5-hexylthiophen-3-yl)methanamine
SMILESCCCCCCc1cc(CN)c(Br)s1
InChIInChI=1S/C11H18BrNS/c1-2-3-4-5-6-10-7-9(8-13)11(12)14-10/h7H,2-6,8,13H2,1H3
InChIKeyOEQKCUGVWIISEU-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 54.09
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

2,5-dioctylthieno[3,2-b]thiophene
CID 139270896
4,6-dibromo-2-dodecylthieno[2,3-c]thiophene
CID 67499277
6-(5-bromo-4-methylthiophen-2-yl)hexan-1-amine
CID 79990966
3-bromo-5-octylthieno[3,2-b]thiophene
CID 135070013
4-(5-bromo-4-methylthiophen-2-yl)butan-1-amine
CID 79991817
4-butyl-11-hexyl-5,7,12,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),3,9(13),10-pentaene
CID 130351831
2,5-diheptylthiophene
CID 607114
5-bromo-2-(5-bromo-3-octylthiophen-2-yl)-3-octylthiophene
CID 86180196
4,11-dioctyl-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
CID 130376551
5-(4,5-dibromothiophen-2-yl)-N-methylpentan-1-amine
CID 80534928
4-bromo-2-octylthieno[2,3-c]thiophene-6-carbaldehyde
CID 133083193
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-hexylthiophen-3-yl)methanamine?
The IUPAC name of (2-bromo-5-hexylthiophen-3-yl)methanamine (CID 114748653) is (2-bromo-5-hexylthiophen-3-yl)methanamine.
What is the SMILES notation for (2-bromo-5-hexylthiophen-3-yl)methanamine?
The canonical SMILES for (2-bromo-5-hexylthiophen-3-yl)methanamine is CCCCCCc1cc(CN)c(Br)s1.
What is the InChIKey of (2-bromo-5-hexylthiophen-3-yl)methanamine?
The InChIKey is OEQKCUGVWIISEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-2-3-4-5-6-10-7-9(8-13)11(12)14-10/h7H,2-6,8,13H2,1H3.
What are the key properties of (2-bromo-5-hexylthiophen-3-yl)methanamine?
(2-bromo-5-hexylthiophen-3-yl)methanamine has a molecular weight of 276.24 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-hexylthiophen-3-yl)methanamine is sourced from PubChem (CID 114748653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).