N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine

C12H18BrNS — CID 66024242

IUPACN-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2sccc2Br)CC1
InChIInChI=1S/C12H18BrNS/c1-9(2)14-8-12(4-5-12)7-11-10(13)3-6-15-11/h3,6,9,14H,4-5,7-8H2,1-2H3
InChIKeyYRCQABKTXVKHJM-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.83
Rot. Bonds5

About N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine

N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine (PubChem CID 66024242) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
PubChem CID66024242
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC NameN-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2sccc2Br)CC1
InChIInChI=1S/C12H18BrNS/c1-9(2)14-8-12(4-5-12)7-11-10(13)3-6-15-11/h3,6,9,14H,4-5,7-8H2,1-2H3
InChIKeyYRCQABKTXVKHJM-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196718
N-[[3-[(3-bromothiophen-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534739
[1-[(3-bromothiophen-2-yl)methyl]cyclohexyl]methanamine
CID 62724489
N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194612
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024461
[1-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methanamine
CID 65395570
1-[(3-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 63411417
1-[(3-bromothiophen-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086657
N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66023794
N-[[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 106271623
1-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79064069
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66026670

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine (CID 66024242) is N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine is CC(C)NCC1(Cc2sccc2Br)CC1.
What is the InChIKey of N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine?
The InChIKey is YRCQABKTXVKHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-9(2)14-8-12(4-5-12)7-11-10(13)3-6-15-11/h3,6,9,14H,4-5,7-8H2,1-2H3.
What are the key properties of N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine?
N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine has a molecular weight of 288.25 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-bromothiophen-2-yl)methyl]cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 66024242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).