N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine

C15H25BrN2S — CID 55220494

IUPACN-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCN(Cc2ccc(Br)s2)C1
InChIInChI=1S/C15H25BrN2S/c1-15(2,3)17-9-12-5-4-8-18(10-12)11-13-6-7-14(16)19-13/h6-7,12,17H,4-5,8-11H2,1-3H3
InChIKeyJERIVKWUYVEDKT-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.11
Rot. Bonds4

About N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 55220494) has the molecular formula C15H25BrN2S and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID55220494
Molecular FormulaC15H25BrN2S
Molecular Weight345.35 g/mol
Exact Mass344.09
IUPAC NameN-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCN(Cc2ccc(Br)s2)C1
InChIInChI=1S/C15H25BrN2S/c1-15(2,3)17-9-12-5-4-8-18(10-12)11-13-6-7-14(16)19-13/h6-7,12,17H,4-5,8-11H2,1-3H3
InChIKeyJERIVKWUYVEDKT-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581813
1-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922215
1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine
CID 115688536
2-methyl-N-[[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081480
N-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine
CID 120835729
4-[[3-[(tert-butylamino)methyl]piperidin-1-yl]methyl]benzonitrile
CID 63847968
N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62591476
N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793865
N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 62581145
2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847439
2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648359
2-methyl-N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847441

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine (CID 55220494) is N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCCN(Cc2ccc(Br)s2)C1.
What is the InChIKey of N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JERIVKWUYVEDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2S/c1-15(2,3)17-9-12-5-4-8-18(10-12)11-13-6-7-14(16)19-13/h6-7,12,17H,4-5,8-11H2,1-3H3.
What are the key properties of N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 345.35 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55220494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).