N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine

C11H16BrNS — CID 105157272

IUPACN-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1csc(Br)c1)C1CC1
InChIInChI=1S/C11H16BrNS/c1-2-5-13-11(8-3-4-8)9-6-10(12)14-7-9/h6-8,11,13H,2-5H2,1H3
InChIKeyBDDMVIKPZPMCGG-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.96
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine

N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine (PubChem CID 105157272) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine
PubChem CID105157272
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC NameN-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine
SMILESCCCNC(c1csc(Br)c1)C1CC1
InChIInChI=1S/C11H16BrNS/c1-2-5-13-11(8-3-4-8)9-6-10(12)14-7-9/h6-8,11,13H,2-5H2,1H3
InChIKeyBDDMVIKPZPMCGG-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-3-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 105155352
N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine
CID 105080844
1-(5-bromothiophen-3-yl)-1-cyclopropyl-N-methylmethanamine
CID 105157259
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
N-[(5-bromothiophen-3-yl)-(oxan-4-yl)methyl]ethanamine
CID 105147150
1-(5-bromothiophen-3-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105153841
N-[(4-bromo-3-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 104987951
N-[cyclobutyl(thiophen-3-yl)methyl]propan-1-amine
CID 65104762
1-(5-bromothiophen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 105163785
N-[2,3-dihydro-1H-inden-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 65410330
N-[(4,5-dibromothiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990742
N-[(3-bromo-5-methylphenyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990900

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine (CID 105157272) is N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine is CCCNC(c1csc(Br)c1)C1CC1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine?
The InChIKey is BDDMVIKPZPMCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-2-5-13-11(8-3-4-8)9-6-10(12)14-7-9/h6-8,11,13H,2-5H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine?
N-[(5-bromothiophen-3-yl)-cyclopropylmethyl]propan-1-amine has a molecular weight of 274.23 g/mol, XLogP of 3.96, 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)-cyclopropylmethyl]propan-1-amine is sourced from PubChem (CID 105157272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).