N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride

C12H20BrClN2OS — CID 119572064

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)Cc1ccc(Br)s1.Cl
InChIInChI=1S/C12H19BrN2OS.ClH/c1-3-12(4-2,8-14)15-11(16)7-9-5-6-10(13)17-9;/h5-6H,3-4,7-8,14H2,1-2H3,(H,15,16);1H
InChIKeyKBBKNYHLQSUQMA-UHFFFAOYSA-N
MW355.73 g/mol
LogP3.11
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride (PubChem CID 119572064) has the molecular formula C12H20BrClN2OS and a molecular weight of 355.73 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
PubChem CID119572064
Molecular FormulaC12H20BrClN2OS
Molecular Weight355.73 g/mol
Exact Mass354.02
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)Cc1ccc(Br)s1.Cl
InChIInChI=1S/C12H19BrN2OS.ClH/c1-3-12(4-2,8-14)15-11(16)7-9-5-6-10(13)17-9;/h5-6H,3-4,7-8,14H2,1-2H3,(H,15,16);1H
InChIKeyKBBKNYHLQSUQMA-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.73
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 111485902
N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride
CID 119571282
N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
CID 119568475
N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide
CID 119568476
N-(1-amino-4-methylpentan-2-yl)-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
CID 119588799
2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119509523
N-(1-aminopropan-2-yl)-2-(5-bromothiophen-2-yl)-N-methylacetamide;hydrochloride
CID 119585249
1-(4-amino-3-methylphenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 116553879
N-[3-(aminomethyl)pentan-3-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 119571100
4-amino-1-(5-bromothiophen-2-yl)-3,3,4-trimethylpentan-2-one
CID 116573509
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide
CID 119569073

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride (CID 119572064) is N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride is CCC(CC)(CN)NC(=O)Cc1ccc(Br)s1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride?
The InChIKey is KBBKNYHLQSUQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS.ClH/c1-3-12(4-2,8-14)15-11(16)7-9-5-6-10(13)17-9;/h5-6H,3-4,7-8,14H2,1-2H3,(H,15,16);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride has a molecular weight of 355.73 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119572064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).