N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine

C12H19BrN2S — CID 61169601

IUPACN-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCc2csc(Br)c2)C1
InChIInChI=1S/C12H19BrN2S/c1-2-15-5-3-4-11(8-15)14-7-10-6-12(13)16-9-10/h6,9,11,14H,2-5,7-8H2,1H3
InChIKeyXAMMMZNEHAMDKE-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.08
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine

N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine (PubChem CID 61169601) has the molecular formula C12H19BrN2S and a molecular weight of 303.27 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine
PubChem CID61169601
Molecular FormulaC12H19BrN2S
Molecular Weight303.27 g/mol
Exact Mass302.05
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCc2csc(Br)c2)C1
InChIInChI=1S/C12H19BrN2S/c1-2-15-5-3-4-11(8-15)14-7-10-6-12(13)16-9-10/h6,9,11,14H,2-5,7-8H2,1H3
InChIKeyXAMMMZNEHAMDKE-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone
CID 115697951
1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine
CID 62759751
N-[(4,5-dibromofuran-2-yl)methyl]-1-ethylpiperidin-3-amine
CID 62083631
N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine
CID 79978789
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine
CID 61171948
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 61169019
N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-3-azabicyclo[3.3.1]nonan-9-amine
CID 71885858
1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine
CID 61171344
1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine
CID 61170766
N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917694
1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine
CID 61171932
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-ethylpiperidin-3-amine
CID 61171746

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine (CID 61169601) is N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine is CCN1CCCC(NCc2csc(Br)c2)C1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine?
The InChIKey is XAMMMZNEHAMDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S/c1-2-15-5-3-4-11(8-15)14-7-10-6-12(13)16-9-10/h6,9,11,14H,2-5,7-8H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine?
N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine has a molecular weight of 303.27 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-1-ethylpiperidin-3-amine is sourced from PubChem (CID 61169601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).