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

C9H15BrN2S — CID 116949322

IUPAC1-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
SMILESCNC(CCCN)c1cc(Br)cs1
InChIInChI=1S/C9H15BrN2S/c1-12-8(3-2-4-11)9-5-7(10)6-13-9/h5-6,8,12H,2-4,11H2,1H3
InChIKeyAMYKUJFZUCLVOZ-UHFFFAOYSA-N
MW263.20 g/mol
LogP2.51
Rot. Bonds5

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

1-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine (PubChem CID 116949322) has the molecular formula C9H15BrN2S and a molecular weight of 263.20 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
PubChem CID116949322
Molecular FormulaC9H15BrN2S
Molecular Weight263.20 g/mol
Exact Mass262.01
IUPAC Name1-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
SMILESCNC(CCCN)c1cc(Br)cs1
InChIInChI=1S/C9H15BrN2S/c1-12-8(3-2-4-11)9-5-7(10)6-13-9/h5-6,8,12H,2-4,11H2,1H3
InChIKeyAMYKUJFZUCLVOZ-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-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
CID 116949880
1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine
CID 116905160
1-(5-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
CID 116949282
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
1-(4-bromothiophen-2-yl)butylhydrazine
CID 105222377
2-(4-bromothiophen-2-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83010765
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
4-(4-bromothiophen-2-yl)-2,2-dimethyl-4-(methylamino)butanoic acid
CID 116953738
[1-(4-bromothiophen-2-yl)-3-methylhexyl]hydrazine
CID 105222482
1-(4-methoxythiophen-2-yl)-N-methylpentan-1-amine
CID 115833083
[1-(4-bromothiophen-2-yl)-3-ethylpentyl]hydrazine
CID 105222639
1-(4-bromothiophen-2-yl)-4-methoxy-N-propylbutan-1-amine
CID 115633537

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine (CID 116949322) is 1-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine is CNC(CCCN)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine?
The InChIKey is AMYKUJFZUCLVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2S/c1-12-8(3-2-4-11)9-5-7(10)6-13-9/h5-6,8,12H,2-4,11H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine?
1-(4-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-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine is sourced from PubChem (CID 116949322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).