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

C9H15BrN2S — CID 115201088

IUPACN'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine
SMILESCN(CCCCN)c1ccc(Br)s1
InChIInChI=1S/C9H15BrN2S/c1-12(7-3-2-6-11)9-5-4-8(10)13-9/h4-5H,2-3,6-7,11H2,1H3
InChIKeyLVSUGWXLEMDKGM-UHFFFAOYSA-N
MW263.20 g/mol
LogP2.69
Rot. Bonds5

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

N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine (PubChem CID 115201088) has the molecular formula C9H15BrN2S and a molecular weight of 263.20 g/mol. Its IUPAC name is N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine
PubChem CID115201088
Molecular FormulaC9H15BrN2S
Molecular Weight263.20 g/mol
Exact Mass262.01
IUPAC NameN'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine
SMILESCN(CCCCN)c1ccc(Br)s1
InChIInChI=1S/C9H15BrN2S/c1-12(7-3-2-6-11)9-5-4-8(10)13-9/h4-5H,2-3,6-7,11H2,1H3
InChIKeyLVSUGWXLEMDKGM-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(5-bromothiophen-2-yl)-methylamino]methanol
CID 115228803
4-amino-1-[(5-bromothiophen-2-yl)-methylamino]butan-2-ol
CID 117039087
N'-methyl-N'-thiophen-2-ylbutane-1,4-diamine
CID 115201070
4-[(5-bromothiophen-2-yl)-methylamino]-2-methylbutanoic acid
CID 115220620
N-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine
CID 115245691
N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine
CID 115213922
N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine
CID 115197440
1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol
CID 115136851
3-[(5-bromothiophen-2-yl)-methylamino]-2,2-dimethylpropanenitrile
CID 115233901
3-[4-aminobutyl-[3-(5-bromothiophen-2-yl)-3-oxopropyl]amino]-1-(5-bromothiophen-2-yl)propan-1-one
CID 70926054
N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine
CID 94255608
N'-(3-bromo-4-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 115201089

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine (CID 115201088) is N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine is CN(CCCCN)c1ccc(Br)s1.
What is the InChIKey of N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine?
The InChIKey is LVSUGWXLEMDKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2S/c1-12(7-3-2-6-11)9-5-4-8(10)13-9/h4-5H,2-3,6-7,11H2,1H3.
What are the key properties of N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine?
N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine has a molecular weight of 263.20 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromothiophen-2-yl)-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 115201088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).