N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine

C11H19BrN2S — CID 79256811

IUPACN-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine
SMILESCC(C)(C)NCCNCc1ccc(Br)s1
InChIInChI=1S/C11H19BrN2S/c1-11(2,3)14-7-6-13-8-9-4-5-10(12)15-9/h4-5,13-14H,6-8H2,1-3H3
InChIKeyKUGNEGXPYYBGTJ-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.99
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine

N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine (PubChem CID 79256811) has the molecular formula C11H19BrN2S and a molecular weight of 291.26 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine
PubChem CID79256811
Molecular FormulaC11H19BrN2S
Molecular Weight291.26 g/mol
Exact Mass290.05
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine
SMILESCC(C)(C)NCCNCc1ccc(Br)s1
InChIInChI=1S/C11H19BrN2S/c1-11(2,3)14-7-6-13-8-9-4-5-10(12)15-9/h4-5,13-14H,6-8H2,1-3H3
InChIKeyKUGNEGXPYYBGTJ-UHFFFAOYSA-N
XLogP2.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.99
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

N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[(5-bromothiophen-2-yl)methyl]-2-tert-butylsulfanylethanamine;hydrochloride
CID 115614482
6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine
CID 65306697
4-[(5-bromothiophen-2-yl)methylamino]-2,2-dimethylbutanoic acid
CID 115221121
N-[2-[(5-bromothiophen-2-yl)methylamino]ethyl]acetamide;hydrochloride
CID 91663076
1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol
CID 66003447
4-[(5-bromothiophen-2-yl)methylamino]butan-2-one
CID 115235637
N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine
CID 106723329
N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
CID 49488269
N-[(5-bromothiophen-2-yl)methyl]-4-iodobutan-1-amine
CID 106844681
N-[(5-bromothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 61484771

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine (CID 79256811) is N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine is CC(C)(C)NCCNCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine?
The InChIKey is KUGNEGXPYYBGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2S/c1-11(2,3)14-7-6-13-8-9-4-5-10(12)15-9/h4-5,13-14H,6-8H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine?
N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine has a molecular weight of 291.26 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine is sourced from PubChem (CID 79256811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).