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

C12H18BrNS — CID 66023790

IUPACN-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C12H18BrNS/c1-2-7-14-9-12(5-6-12)8-10-3-4-11(13)15-10/h3-4,14H,2,5-9H2,1H3
InChIKeyBZQHJUMXSJYCQM-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.83
Rot. Bonds6

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

N-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine (PubChem CID 66023790) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is N-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine
PubChem CID66023790
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC NameN-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C12H18BrNS/c1-2-7-14-9-12(5-6-12)8-10-3-4-11(13)15-10/h3-4,14H,2,5-9H2,1H3
InChIKeyBZQHJUMXSJYCQM-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine
CID 63507818
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 55195471
N-[[1-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 63507651
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 115243640
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 63507825
N-[1-[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798013
[1-[(5-bromothiophen-2-yl)methyl]cyclobutyl]methanamine
CID 65194183
[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106042522
2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071211
N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 62724982
N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine
CID 114757564

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine (CID 66023790) is N-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine is CCCNCC1(Cc2ccc(Br)s2)CC1.
What is the InChIKey of N-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine?
The InChIKey is BZQHJUMXSJYCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-2-7-14-9-12(5-6-12)8-10-3-4-11(13)15-10/h3-4,14H,2,5-9H2,1H3.
What are the key properties of N-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine?
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-1-amine has a molecular weight of 288.25 g/mol, XLogP of 3.83, 6 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)methyl]cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 66023790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).