3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine

C10H16BrNS — CID 62619965

IUPAC3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine
SMILESCCC(N)(CC)Cc1ccc(Br)s1
InChIInChI=1S/C10H16BrNS/c1-3-10(12,4-2)7-8-5-6-9(11)13-8/h5-6H,3-4,7,12H2,1-2H3
InChIKeyWWOCUORHWGFAOV-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.57
Rot. Bonds4

About 3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine

3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine (PubChem CID 62619965) has the molecular formula C10H16BrNS and a molecular weight of 262.22 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine
PubChem CID62619965
Molecular FormulaC10H16BrNS
Molecular Weight262.22 g/mol
Exact Mass261.02
IUPAC Name3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine
SMILESCCC(N)(CC)Cc1ccc(Br)s1
InChIInChI=1S/C10H16BrNS/c1-3-10(12,4-2)7-8-5-6-9(11)13-8/h5-6H,3-4,7,12H2,1-2H3
InChIKeyWWOCUORHWGFAOV-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl]-2-methylbutanoic acid
CID 62740253
1-(5-bromothiophen-2-yl)-2-(4-ethylphenyl)propan-2-amine
CID 62622583
1-(5-bromothiophen-2-yl)-2-phenylpropan-2-amine
CID 62622178
2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol
CID 106506348
2-(2-bromophenyl)-1-(5-bromothiophen-2-yl)propan-2-amine
CID 55096158
3-amino-2-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899923
1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol
CID 65146918
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
2-(3-bromophenyl)-1-(5-bromothiophen-2-yl)propan-2-amine
CID 62622744
4-[1-(5-bromothiophen-2-yl)-2-hydroxypropan-2-yl]phenol
CID 83075163
2-(5-bromothiophen-2-yl)butan-2-amine
CID 82475741
(2S)-2-(5-bromothiophen-2-yl)butan-2-amine
CID 96660698

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine?
The IUPAC name of 3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine (CID 62619965) is 3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine is CCC(N)(CC)Cc1ccc(Br)s1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine?
The InChIKey is WWOCUORHWGFAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS/c1-3-10(12,4-2)7-8-5-6-9(11)13-8/h5-6H,3-4,7,12H2,1-2H3.
What are the key properties of 3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine?
3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine has a molecular weight of 262.22 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 62619965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).