6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine

C11H18BrNS — CID 80536931

IUPAC6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine
SMILESCNCCCCCCc1sccc1Br
InChIInChI=1S/C11H18BrNS/c1-13-8-5-3-2-4-6-11-10(12)7-9-14-11/h7,9,13H,2-6,8H2,1H3
InChIKeyFBCMFAUFAILODK-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.83
Rot. Bonds7

About 6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine

6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine (PubChem CID 80536931) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is 6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine
PubChem CID80536931
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC Name6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine
SMILESCNCCCCCCc1sccc1Br
InChIInChI=1S/C11H18BrNS/c1-13-8-5-3-2-4-6-11-10(12)7-9-14-11/h7,9,13H,2-6,8H2,1H3
InChIKeyFBCMFAUFAILODK-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.83
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

5-(3-bromothiophen-2-yl)-N-ethylpentan-1-amine
CID 80536845
3-(3-bromothiophen-2-yl)-N-propylpropan-1-amine
CID 62530405
5-(3-bromothiophen-2-yl)-N-methylpent-3-en-1-amine
CID 79590546
5-(3-bromo-5-methylthiophen-2-yl)-N-methylpentan-1-amine
CID 65305729
4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 81022935
5-(3-bromothiophen-2-yl)pentan-2-ol
CID 64516501
2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83138413
5-(3-bromothiophen-2-yl)-N-ethyl-3,3-dimethylpentan-1-amine
CID 80537110
3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 119964647
10-[(7-bromo-1-benzothiophen-4-yl)oxy]-N-methyldecan-1-amine;hydrochloride
CID 10274596
4-(3-bromothiophen-2-yl)-N-ethyl-1-phenylbutan-1-amine
CID 64500989
6-(4-bromo-2,5-dimethylphenyl)-N-methylhexan-1-amine
CID 65306316

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine?
The IUPAC name of 6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine (CID 80536931) is 6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine.
What is the SMILES notation for 6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine?
The canonical SMILES for 6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine is CNCCCCCCc1sccc1Br.
What is the InChIKey of 6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine?
The InChIKey is FBCMFAUFAILODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-13-8-5-3-2-4-6-11-10(12)7-9-14-11/h7,9,13H,2-6,8H2,1H3.
What are the key properties of 6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine?
6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine has a molecular weight of 276.24 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromothiophen-2-yl)-N-methylhexan-1-amine is sourced from PubChem (CID 80536931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).