N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine

C12H18BrNS — CID 115709428

IUPACN-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine
SMILESCC(C)C(NCc1csc(Br)c1)C1CC1
InChIInChI=1S/C12H18BrNS/c1-8(2)12(10-3-4-10)14-6-9-5-11(13)15-7-9/h5,7-8,10,12,14H,3-4,6H2,1-2H3
InChIKeyQZHWSQWNYWQLJR-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.03
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine

N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine (PubChem CID 115709428) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine
PubChem CID115709428
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine
SMILESCC(C)C(NCc1csc(Br)c1)C1CC1
InChIInChI=1S/C12H18BrNS/c1-8(2)12(10-3-4-10)14-6-9-5-11(13)15-7-9/h5,7-8,10,12,14H,3-4,6H2,1-2H3
InChIKeyQZHWSQWNYWQLJR-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
1-(4-bromophenyl)-N-[(5-bromothiophen-3-yl)methyl]ethanamine
CID 60760516
N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43432082
N-[(5-bromothiophen-3-yl)methyl]-1-phenylpropan-2-amine
CID 63010723
(2R)-2-[(5-bromothiophen-3-yl)methylamino]-N-methylpropanamide
CID 103735729
N-[(5-bromothiophen-3-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115639975
N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43431981
4-[3-[(5-bromothiophen-3-yl)methylamino]butyl]phenol
CID 43746723
N-[(5-bromothiophen-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 43431978
N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 54864200
1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 115708476
N-[(5-bromothiophen-3-yl)methyl]cyclohexanamine
CID 43431948

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine (CID 115709428) is N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine is CC(C)C(NCc1csc(Br)c1)C1CC1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine?
The InChIKey is QZHWSQWNYWQLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-8(2)12(10-3-4-10)14-6-9-5-11(13)15-7-9/h5,7-8,10,12,14H,3-4,6H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine?
N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine has a molecular weight of 288.25 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-1-cyclopropyl-2-methylpropan-1-amine is sourced from PubChem (CID 115709428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).