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

C10H14BrNS — CID 43298343

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine
SMILESBrc1ccc(CNCC2CCC2)s1
InChIInChI=1S/C10H14BrNS/c11-10-5-4-9(13-10)7-12-6-8-2-1-3-8/h4-5,8,12H,1-3,6-7H2
InChIKeySCLXHBQSQHYYJY-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.40
Rot. Bonds4

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

N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine (PubChem CID 43298343) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine
PubChem CID43298343
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine
SMILESBrc1ccc(CNCC2CCC2)s1
InChIInChI=1S/C10H14BrNS/c11-10-5-4-9(13-10)7-12-6-8-2-1-3-8/h4-5,8,12H,1-3,6-7H2
InChIKeySCLXHBQSQHYYJY-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-cyclohex-3-en-1-ylmethanamine
CID 60744369
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 102894589
1-[(5-bromothiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504860
2-(5-bromothiophen-2-yl)-N-[(4-tert-butylcyclohexyl)methyl]ethanamine
CID 106042535
1-cyclohexyl-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]methanamine
CID 53273821
N-[(5-bromothiophen-2-yl)methyl]-1-(2-methylpyrrolidin-3-yl)methanamine
CID 79384245
N-[(4-bromo-5-methoxythiophen-2-yl)methyl]-1-cyclobutylmethanamine
CID 115750363
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
N-[(5-bromothiophen-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95159793
N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091163
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine (CID 43298343) is N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine is Brc1ccc(CNCC2CCC2)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine?
The InChIKey is SCLXHBQSQHYYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c11-10-5-4-9(13-10)7-12-6-8-2-1-3-8/h4-5,8,12H,1-3,6-7H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine?
N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine has a molecular weight of 260.20 g/mol, XLogP of 3.40, 4 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-cyclobutylmethanamine is sourced from PubChem (CID 43298343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).