N-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine

C12H17Br2NS — CID 102836416

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC1(C)C(NCc2cc(Br)c(Br)s2)C1(C)C
InChIInChI=1S/C12H17Br2NS/c1-11(2)10(12(11,3)4)15-6-7-5-8(13)9(14)16-7/h5,10,15H,6H2,1-4H3
InChIKeyJBFHBFSUCYYUHJ-UHFFFAOYSA-N
MW367.15 g/mol
LogP4.80
Rot. Bonds3

About N-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine

N-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 102836416) has the molecular formula C12H17Br2NS and a molecular weight of 367.15 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID102836416
Molecular FormulaC12H17Br2NS
Molecular Weight367.15 g/mol
Exact Mass364.94
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC1(C)C(NCc2cc(Br)c(Br)s2)C1(C)C
InChIInChI=1S/C12H17Br2NS/c1-11(2)10(12(11,3)4)15-6-7-5-8(13)9(14)16-7/h5,10,15H,6H2,1-4H3
InChIKeyJBFHBFSUCYYUHJ-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,5-dibromothiophen-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 102832156
N-[(4,5-dibromothiophen-2-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 102836922
(4,5-dibromothiophen-2-yl)methylhydrazine
CID 80536373
1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine
CID 102837054
N-[(4,5-dibromothiophen-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 102831737
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine
CID 102835320
2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 102837489
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 102835259
1-(4,5-dibromothiophen-2-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
CID 102836527
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
CID 80536287
1,1-dicyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102830980
2-cyclopropyl-N-[(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 102836218

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine (CID 102836416) is N-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine is CC1(C)C(NCc2cc(Br)c(Br)s2)C1(C)C.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is JBFHBFSUCYYUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NS/c1-11(2)10(12(11,3)4)15-6-7-5-8(13)9(14)16-7/h5,10,15H,6H2,1-4H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
N-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine has a molecular weight of 367.15 g/mol, XLogP of 4.80, 3 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]-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 102836416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).