N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine

C14H25BrN2S — CID 62462074

IUPACN-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine
SMILESCC(CNC(C)(C)C)CN(C)Cc1csc(Br)c1
InChIInChI=1S/C14H25BrN2S/c1-11(7-16-14(2,3)4)8-17(5)9-12-6-13(15)18-10-12/h6,10-11,16H,7-9H2,1-5H3
InChIKeyWYFAUZWKIJWHEZ-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.97
Rot. Bonds6

About N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine

N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine (PubChem CID 62462074) has the molecular formula C14H25BrN2S and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine
PubChem CID62462074
Molecular FormulaC14H25BrN2S
Molecular Weight333.34 g/mol
Exact Mass332.09
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine
SMILESCC(CNC(C)(C)C)CN(C)Cc1csc(Br)c1
InChIInChI=1S/C14H25BrN2S/c1-11(7-16-14(2,3)4)8-17(5)9-12-6-13(15)18-10-12/h6,10-11,16H,7-9H2,1-5H3
InChIKeyWYFAUZWKIJWHEZ-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine (CID 62462074) is N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine is CC(CNC(C)(C)C)CN(C)Cc1csc(Br)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine?
The InChIKey is WYFAUZWKIJWHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN2S/c1-11(7-16-14(2,3)4)8-17(5)9-12-6-13(15)18-10-12/h6,10-11,16H,7-9H2,1-5H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine?
N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine has a molecular weight of 333.34 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62462074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).