N-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine

C12H18BrNS — CID 55211598

IUPACN-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine
SMILESCN(Cc1sccc1Br)CC1CCCC1
InChIInChI=1S/C12H18BrNS/c1-14(8-10-4-2-3-5-10)9-12-11(13)6-7-15-12/h6-7,10H,2-5,8-9H2,1H3
InChIKeySIDNBNUUFDHMLA-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.13
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine

N-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine (PubChem CID 55211598) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine
PubChem CID55211598
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine
SMILESCN(Cc1sccc1Br)CC1CCCC1
InChIInChI=1S/C12H18BrNS/c1-14(8-10-4-2-3-5-10)9-12-11(13)6-7-15-12/h6-7,10H,2-5,8-9H2,1H3
InChIKeySIDNBNUUFDHMLA-UHFFFAOYSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63864670
N-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine
CID 48542145
N-[(4-bromothiophen-2-yl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 63458492
N-[(3-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 63207619
2-bromo-5-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 115557204
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline
CID 113335088
2-bromo-5-[[cyclobutylmethyl(methyl)amino]methyl]aniline
CID 115557165
N-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 63458821
N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 63823450
1-(3-bromothiophen-2-yl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanone
CID 63236769
2-[(3-bromothiophen-2-yl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76929374

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine (CID 55211598) is N-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine is CN(Cc1sccc1Br)CC1CCCC1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine?
The InChIKey is SIDNBNUUFDHMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-14(8-10-4-2-3-5-10)9-12-11(13)6-7-15-12/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine?
N-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine has a molecular weight of 288.25 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-1-cyclopentyl-N-methylmethanamine is sourced from PubChem (CID 55211598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).