N-[[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine

C13H20BrNS — CID 62712086

IUPACN-[[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CC1(C)c1ccc(Br)s1
InChIInChI=1S/C13H20BrNS/c1-12(2,3)15-8-9-7-13(9,4)10-5-6-11(14)16-10/h5-6,9,15H,7-8H2,1-4H3
InChIKeyBGTYMEZCDSZMDY-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.18
Rot. Bonds3

About N-[[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine

N-[[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine (PubChem CID 62712086) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is N-[[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine
PubChem CID62712086
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC NameN-[[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CC1(C)c1ccc(Br)s1
InChIInChI=1S/C13H20BrNS/c1-12(2,3)15-8-9-7-13(9,4)10-5-6-11(14)16-10/h5-6,9,15H,7-8H2,1-4H3
InChIKeyBGTYMEZCDSZMDY-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine (CID 62712086) is N-[[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CC1(C)c1ccc(Br)s1.
What is the InChIKey of N-[[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine?
The InChIKey is BGTYMEZCDSZMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-12(2,3)15-8-9-7-13(9,4)10-5-6-11(14)16-10/h5-6,9,15H,7-8H2,1-4H3.
What are the key properties of N-[[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine?
N-[[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine has a molecular weight of 302.28 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromothiophen-2-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62712086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).