(5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine

C12H18BrNS — CID 66475544

IUPAC(5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCC1(C)C(C(N)c2ccc(Br)s2)C1(C)C
InChIInChI=1S/C12H18BrNS/c1-11(2)10(12(11,3)4)9(14)7-5-6-8(13)15-7/h5-6,9-10H,14H2,1-4H3
InChIKeyZBOIHGKTWKEKGR-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.19
Rot. Bonds2

About (5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine

(5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 66475544) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID66475544
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name(5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCC1(C)C(C(N)c2ccc(Br)s2)C1(C)C
InChIInChI=1S/C12H18BrNS/c1-11(2)10(12(11,3)4)9(14)7-5-6-8(13)15-7/h5-6,9-10H,14H2,1-4H3
InChIKeyZBOIHGKTWKEKGR-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 66475544) is (5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine is CC1(C)C(C(N)c2ccc(Br)s2)C1(C)C.
What is the InChIKey of (5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is ZBOIHGKTWKEKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-11(2)10(12(11,3)4)9(14)7-5-6-8(13)15-7/h5-6,9-10H,14H2,1-4H3.
What are the key properties of (5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
(5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 288.25 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 66475544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).