N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine

C13H20BrNS — CID 61104757

IUPACN-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)s1)C1CCCC1
InChIInChI=1S/C13H20BrNS/c1-2-9-15-13(10-5-3-4-6-10)11-7-8-12(14)16-11/h7-8,10,13,15H,2-6,9H2,1H3
InChIKeyWNAOYKOXYVCOFU-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.74
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine

N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine (PubChem CID 61104757) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
PubChem CID61104757
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC NameN-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)s1)C1CCCC1
InChIInChI=1S/C13H20BrNS/c1-2-9-15-13(10-5-3-4-6-10)11-7-8-12(14)16-11/h7-8,10,13,15H,2-6,9H2,1H3
InChIKeyWNAOYKOXYVCOFU-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051
N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine
CID 80532063
N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine
CID 63501873
N-[1-benzothiophen-2-yl(cycloheptyl)methyl]propan-1-amine
CID 105027903
N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 105027664
1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 55196072
N-[[5-(2-bromo-3-chlorophenyl)thiophen-2-yl]-cyclopropylmethyl]propan-1-amine
CID 103481065
N-[cycloheptyl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81155915
N-[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63504364
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
(1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine
CID 81386958
N-[cyclohexyl(thiophen-3-yl)methyl]propan-1-amine
CID 60819375

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine (CID 61104757) is N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine is CCCNC(c1ccc(Br)s1)C1CCCC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine?
The InChIKey is WNAOYKOXYVCOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-2-9-15-13(10-5-3-4-6-10)11-7-8-12(14)16-11/h7-8,10,13,15H,2-6,9H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine?
N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine has a molecular weight of 302.28 g/mol, XLogP of 4.74, 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)-cyclopentylmethyl]propan-1-amine is sourced from PubChem (CID 61104757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).