N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine

C11H16BrNS — CID 64917586

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine
SMILESCCC(NCc1ccc(Br)s1)C1CC1
InChIInChI=1S/C11H16BrNS/c1-2-10(8-3-4-8)13-7-9-5-6-11(12)14-9/h5-6,8,10,13H,2-4,7H2,1H3
InChIKeyIUKDXNMDYNYXAY-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.79
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine

N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine (PubChem CID 64917586) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine
PubChem CID64917586
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine
SMILESCCC(NCc1ccc(Br)s1)C1CC1
InChIInChI=1S/C11H16BrNS/c1-2-10(8-3-4-8)13-7-9-5-6-11(12)14-9/h5-6,8,10,13H,2-4,7H2,1H3
InChIKeyIUKDXNMDYNYXAY-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine
CID 62632475
(2R)-2-[(5-bromothiophen-2-yl)methylamino]butan-1-ol
CID 28724340
[2-(5-bromothiophen-2-yl)-1-cyclopropylethyl]hydrazine
CID 105202339
2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423025
N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine
CID 63452371
N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 20748992
(2S)-N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833502
N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 112632402
(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
CID 93082561
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 43178335
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine
CID 63476288
2-[(5-bromothiophen-2-yl)methylamino]-N-tert-butylpropanamide
CID 47165182

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine (CID 64917586) is N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine is CCC(NCc1ccc(Br)s1)C1CC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine?
The InChIKey is IUKDXNMDYNYXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-2-10(8-3-4-8)13-7-9-5-6-11(12)14-9/h5-6,8,10,13H,2-4,7H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine?
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine has a molecular weight of 274.23 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine is sourced from PubChem (CID 64917586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).