N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine

C10H17BrN2S — CID 115198009

IUPACN'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCCc1cc(Br)cs1
InChIInChI=1S/C10H17BrN2S/c1-12-4-2-5-13-6-3-10-7-9(11)8-14-10/h7-8,12-13H,2-6H2,1H3
InChIKeyHPRHHBOUOKZZGO-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.25
Rot. Bonds7

About N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine

N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine (PubChem CID 115198009) has the molecular formula C10H17BrN2S and a molecular weight of 277.23 g/mol. Its IUPAC name is N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine
PubChem CID115198009
Molecular FormulaC10H17BrN2S
Molecular Weight277.23 g/mol
Exact Mass276.03
IUPAC NameN'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCCc1cc(Br)cs1
InChIInChI=1S/C10H17BrN2S/c1-12-4-2-5-13-6-3-10-7-9(11)8-14-10/h7-8,12-13H,2-6H2,1H3
InChIKeyHPRHHBOUOKZZGO-UHFFFAOYSA-N
XLogP2.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 62530823
3-(4-bromothiophen-2-yl)-N-ethylpropan-1-amine
CID 62530402
2-(4-bromothiophen-2-yl)ethylhydrazine
CID 105220814
N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine
CID 62550442
N'-[2-(4-bromothiophen-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252576
[1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol
CID 115247094
5-(4-bromothiophen-2-yl)-N-methylpentan-2-amine
CID 64504462
N'-[2-(5-bromo-2-methylphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202149
2-[2-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
CID 115133567
1-(4-bromothiophen-2-yl)-4-(methylamino)butan-2-one
CID 116561191
N'-[2-(3-bromophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202154
N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide
CID 115193942

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine (CID 115198009) is N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine is CNCCCNCCc1cc(Br)cs1.
What is the InChIKey of N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine?
The InChIKey is HPRHHBOUOKZZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2S/c1-12-4-2-5-13-6-3-10-7-9(11)8-14-10/h7-8,12-13H,2-6H2,1H3.
What are the key properties of N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine?
N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine has a molecular weight of 277.23 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 115198009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).