N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine

C12H19Br2NS — CID 102836205

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine
SMILESCCC(C)CC(C)NCc1cc(Br)c(Br)s1
InChIInChI=1S/C12H19Br2NS/c1-4-8(2)5-9(3)15-7-10-6-11(13)12(14)16-10/h6,8-9,15H,4-5,7H2,1-3H3
InChIKeyNRZVRZYVESIFSA-UHFFFAOYSA-N
MW369.17 g/mol
LogP5.19
Rot. Bonds6

About N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine

N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine (PubChem CID 102836205) has the molecular formula C12H19Br2NS and a molecular weight of 369.17 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine
PubChem CID102836205
Molecular FormulaC12H19Br2NS
Molecular Weight369.17 g/mol
Exact Mass366.96
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine
SMILESCCC(C)CC(C)NCc1cc(Br)c(Br)s1
InChIInChI=1S/C12H19Br2NS/c1-4-8(2)5-9(3)15-7-10-6-11(13)12(14)16-10/h6,8-9,15H,4-5,7H2,1-3H3
InChIKeyNRZVRZYVESIFSA-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.17
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine
CID 102837684
3-[(4,5-dibromothiophen-2-yl)methylamino]butan-1-ol
CID 102837210
4-N-[(4,5-dibromothiophen-2-yl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 102830415
2-[(4,5-dibromothiophen-2-yl)methylamino]propane-1,3-diol
CID 102836172
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]pentan-2-amine
CID 115750295
2,3-dibromo-5-(1-bromo-3-methylpentyl)thiophene
CID 114876229
N-[(4-bromo-5-methylthiophen-2-yl)methyl]pentan-2-amine
CID 102830099
2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide
CID 102831700
1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102830980
N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 102835571
1-(3-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 102831822
(1S)-N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 102836707

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine (CID 102836205) is N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine is CCC(C)CC(C)NCc1cc(Br)c(Br)s1.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine?
The InChIKey is NRZVRZYVESIFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Br2NS/c1-4-8(2)5-9(3)15-7-10-6-11(13)12(14)16-10/h6,8-9,15H,4-5,7H2,1-3H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine?
N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine has a molecular weight of 369.17 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine is sourced from PubChem (CID 102836205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).