N-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine

C11H16BrNS — CID 83694064

IUPACN-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine
SMILESCC(C)C(NC1CC1)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNS/c1-7(2)11(13-8-3-4-8)9-5-6-10(12)14-9/h5-8,11,13H,3-4H2,1-2H3
InChIKeyVKCRIXNPUMHXAK-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.96
Rot. Bonds4

About N-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine

N-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine (PubChem CID 83694064) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine
PubChem CID83694064
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC NameN-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine
SMILESCC(C)C(NC1CC1)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNS/c1-7(2)11(13-8-3-4-8)9-5-6-10(12)14-9/h5-8,11,13H,3-4H2,1-2H3
InChIKeyVKCRIXNPUMHXAK-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 54898262
N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine
CID 83693837
N-[1-(5-bromothiophen-2-yl)propan-2-yl]cyclopropanamine
CID 82484308
(1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine
CID 81386958
N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine
CID 43225917
1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol
CID 116859412
N-(2-methyl-1-thiophen-2-ylpropyl)cyclooctanamine
CID 43225879
N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyloxan-4-amine
CID 103907162
1-(5-bromothiophen-2-yl)-N-cycloheptylethane-1,2-diamine
CID 65380337
2-(5-bromothiophen-2-yl)-2-(cycloheptylamino)acetonitrile
CID 61346638
N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79352567
N-[1-(5-bromothiophen-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 83032784

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine (CID 83694064) is N-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine is CC(C)C(NC1CC1)c1ccc(Br)s1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine?
The InChIKey is VKCRIXNPUMHXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-7(2)11(13-8-3-4-8)9-5-6-10(12)14-9/h5-8,11,13H,3-4H2,1-2H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine?
N-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine has a molecular weight of 274.23 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 83694064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).