3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine

C12H20BrNS — CID 62528495

IUPAC3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine
SMILESCC(CNC(C)(C)C)Cc1sccc1Br
InChIInChI=1S/C12H20BrNS/c1-9(8-14-12(2,3)4)7-11-10(13)5-6-15-11/h5-6,9,14H,7-8H2,1-4H3
InChIKeyKSIVKQJQOYGMDN-UHFFFAOYSA-N
MW290.27 g/mol
LogP4.08
Rot. Bonds4

About 3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine

3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine (PubChem CID 62528495) has the molecular formula C12H20BrNS and a molecular weight of 290.27 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine
PubChem CID62528495
Molecular FormulaC12H20BrNS
Molecular Weight290.27 g/mol
Exact Mass289.05
IUPAC Name3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine
SMILESCC(CNC(C)(C)C)Cc1sccc1Br
InChIInChI=1S/C12H20BrNS/c1-9(8-14-12(2,3)4)7-11-10(13)5-6-15-11/h5-6,9,14H,7-8H2,1-4H3
InChIKeyKSIVKQJQOYGMDN-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromothiophen-2-yl)methyl]-N,3,3-trimethylbutan-1-amine
CID 83138413
3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62725350
5-(3-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine
CID 64720763
N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62530694
2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 62529510
4-(3-bromothiophen-2-yl)-3-hydrazinyl-N,N,2-trimethylbutan-2-amine
CID 105239061
3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 114664528
3-bromo-2-[2-(chloromethyl)-3-methylbutyl]thiophene
CID 66035672
1-(3-bromothiophen-2-yl)-3-tert-butylsulfanylpropan-2-amine
CID 65132986
1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79197988
1-(3-bromothiophen-2-yl)-N,5-dimethylhexan-2-amine
CID 62603747
2-[(3-bromothiophen-2-yl)methyl]-2-methylpropane-1,3-diol
CID 79450444

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine (CID 62528495) is 3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine is CC(CNC(C)(C)C)Cc1sccc1Br.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine?
The InChIKey is KSIVKQJQOYGMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNS/c1-9(8-14-12(2,3)4)7-11-10(13)5-6-15-11/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of 3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine?
3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine has a molecular weight of 290.27 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine is sourced from PubChem (CID 62528495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).