1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine

C9H15BrN2S — CID 116949282

IUPAC1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
SMILESCNC(CCCN)c1ccc(Br)s1
InChIInChI=1S/C9H15BrN2S/c1-12-7(3-2-6-11)8-4-5-9(10)13-8/h4-5,7,12H,2-3,6,11H2,1H3
InChIKeyCGAREKGDOUNLAQ-UHFFFAOYSA-N
MW263.20 g/mol
LogP2.51
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine

1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine (PubChem CID 116949282) has the molecular formula C9H15BrN2S and a molecular weight of 263.20 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
PubChem CID116949282
Molecular FormulaC9H15BrN2S
Molecular Weight263.20 g/mol
Exact Mass262.01
IUPAC Name1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
SMILESCNC(CCCN)c1ccc(Br)s1
InChIInChI=1S/C9H15BrN2S/c1-12-7(3-2-6-11)8-4-5-9(10)13-8/h4-5,7,12H,2-3,6,11H2,1H3
InChIKeyCGAREKGDOUNLAQ-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-N-methyldodecan-1-amine
CID 65447449
1-(5-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
CID 116949847
1-(5-bromothiophen-2-yl)-N,4-dimethylpent-4-en-1-amine
CID 114474798
(1S)-1-(5-bromothiophen-2-yl)butane-1,4-diamine;hydrochloride
CID 171222508
1-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
CID 116949322
1-(5-bromothiophen-2-yl)hexylhydrazine
CID 105222257
1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065076
1-(5-bromothiophen-2-yl)propylhydrazine
CID 105222163
N-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 43480384
1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine
CID 61101878
1-(5-bromothiophen-2-yl)oct-7-enylhydrazine
CID 107012478
N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine
CID 130715091

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine (CID 116949282) is 1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine is CNC(CCCN)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine?
The InChIKey is CGAREKGDOUNLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2S/c1-12-7(3-2-6-11)8-4-5-9(10)13-8/h4-5,7,12H,2-3,6,11H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine?
1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine has a molecular weight of 263.20 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine is sourced from PubChem (CID 116949282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).