1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine

C12H15Br2NS — CID 102830980

IUPAC1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
SMILESBrc1cc(CNC(C2CC2)C2CC2)sc1Br
InChIInChI=1S/C12H15Br2NS/c13-10-5-9(16-12(10)14)6-15-11(7-1-2-7)8-3-4-8/h5,7-8,11,15H,1-4,6H2
InChIKeyYLBSGFKBQLMWNK-UHFFFAOYSA-N
MW365.13 g/mol
LogP4.55
Rot. Bonds5

About 1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine

1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine (PubChem CID 102830980) has the molecular formula C12H15Br2NS and a molecular weight of 365.13 g/mol. Its IUPAC name is 1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
PubChem CID102830980
Molecular FormulaC12H15Br2NS
Molecular Weight365.13 g/mol
Exact Mass362.93
IUPAC Name1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
SMILESBrc1cc(CNC(C2CC2)C2CC2)sc1Br
InChIInChI=1S/C12H15Br2NS/c13-10-5-9(16-12(10)14)6-15-11(7-1-2-7)8-3-4-8/h5,7-8,11,15H,1-4,6H2
InChIKeyYLBSGFKBQLMWNK-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.13
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1,1-dicyclopropylmethanamine
CID 115710605
2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 102837489
2-[(4,5-dibromothiophen-2-yl)methylamino]propane-1,3-diol
CID 102836172
2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 102836218
(4,5-dibromothiophen-2-yl)methylhydrazine
CID 80536373
4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide
CID 31030719
3-[(4,5-dibromothiophen-2-yl)methylamino]butan-1-ol
CID 102837210
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(oxan-4-yl)methanamine
CID 102835764
N-[(4,5-dibromothiophen-2-yl)methyl]-4-methylhexan-2-amine
CID 102836205
N-[(4,5-dibromothiophen-2-yl)methyl]-1-ethylsulfanylpropan-2-amine
CID 102837684
2-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide
CID 102831700
1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine
CID 43768522

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine?
The IUPAC name of 1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine (CID 102830980) is 1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine is Brc1cc(CNC(C2CC2)C2CC2)sc1Br.
What is the InChIKey of 1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine?
The InChIKey is YLBSGFKBQLMWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NS/c13-10-5-9(16-12(10)14)6-15-11(7-1-2-7)8-3-4-8/h5,7-8,11,15H,1-4,6H2.
What are the key properties of 1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine?
1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine has a molecular weight of 365.13 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 102830980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).