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

C10H17BrN2S — CID 116949880

IUPAC1-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
SMILESCNC(CCC(C)N)c1cc(Br)cs1
InChIInChI=1S/C10H17BrN2S/c1-7(12)3-4-9(13-2)10-5-8(11)6-14-10/h5-7,9,13H,3-4,12H2,1-2H3
InChIKeyPOGGZMUFMURYHP-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.90
Rot. Bonds5

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

1-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine (PubChem CID 116949880) has the molecular formula C10H17BrN2S and a molecular weight of 277.23 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
PubChem CID116949880
Molecular FormulaC10H17BrN2S
Molecular Weight277.23 g/mol
Exact Mass276.03
IUPAC Name1-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
SMILESCNC(CCC(C)N)c1cc(Br)cs1
InChIInChI=1S/C10H17BrN2S/c1-7(12)3-4-9(13-2)10-5-8(11)6-14-10/h5-7,9,13H,3-4,12H2,1-2H3
InChIKeyPOGGZMUFMURYHP-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
CID 116949322
1-(5-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine
CID 116949847
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
1-(4-bromothiophen-2-yl)butylhydrazine
CID 105222377
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190
[1-(4-bromothiophen-2-yl)-3-methylhexyl]hydrazine
CID 105222482
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
4-(4-bromothiophen-2-yl)-2,2-dimethyl-4-(methylamino)butanoic acid
CID 116953738
2-(4-bromothiophen-2-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83010765
[1-(4-bromothiophen-2-yl)-3-ethylpentyl]hydrazine
CID 105222639
3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 107167468

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine (CID 116949880) is 1-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine is CNC(CCC(C)N)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine?
The InChIKey is POGGZMUFMURYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2S/c1-7(12)3-4-9(13-2)10-5-8(11)6-14-10/h5-7,9,13H,3-4,12H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine?
1-(4-bromothiophen-2-yl)-1-N-methylpentane-1,4-diamine has a molecular weight of 277.23 g/mol, XLogP of 2.90, 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)-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 116949880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).