4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine

C12H20BrNS — CID 79486724

IUPAC4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
SMILESCC(Cc1cccs1)N(C)CCCCBr
InChIInChI=1S/C12H20BrNS/c1-11(10-12-6-5-9-15-12)14(2)8-4-3-7-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3
InChIKeyVXBFOISTERSRTL-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.79
Rot. Bonds7

About 4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine

4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine (PubChem CID 79486724) has the molecular formula C12H20BrNS and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
PubChem CID79486724
Molecular FormulaC12H20BrNS
Molecular Weight290.27 g/mol
Exact Mass289.05
IUPAC Name4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
SMILESCC(Cc1cccs1)N(C)CCCCBr
InChIInChI=1S/C12H20BrNS/c1-11(10-12-6-5-9-15-12)14(2)8-4-3-7-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3
InChIKeyVXBFOISTERSRTL-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one
CID 79486782
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
CID 79486315
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
CID 79476073
N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
CID 79486010
N-butyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493852
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide
CID 79476012
4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
CID 79486739
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine?
The IUPAC name of 4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine (CID 79486724) is 4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine.
What is the SMILES notation for 4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine?
The canonical SMILES for 4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine is CC(Cc1cccs1)N(C)CCCCBr.
What is the InChIKey of 4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine?
The InChIKey is VXBFOISTERSRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNS/c1-11(10-12-6-5-9-15-12)14(2)8-4-3-7-13/h5-6,9,11H,3-4,7-8,10H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine?
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine has a molecular weight of 290.27 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine is sourced from PubChem (CID 79486724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).