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

C10H16BrNS — CID 20748992

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCc1ccc(Br)s1
InChIInChI=1S/C10H16BrNS/c1-7(2)8(3)12-6-9-4-5-10(11)13-9/h4-5,7-8,12H,6H2,1-3H3
InChIKeyXGJLRLGBECGWOO-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.64
Rot. Bonds4

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

N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine (PubChem CID 20748992) has the molecular formula C10H16BrNS and a molecular weight of 262.22 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
PubChem CID20748992
Molecular FormulaC10H16BrNS
Molecular Weight262.22 g/mol
Exact Mass261.02
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCc1ccc(Br)s1
InChIInChI=1S/C10H16BrNS/c1-7(2)8(3)12-6-9-4-5-10(11)13-9/h4-5,7-8,12H,6H2,1-3H3
InChIKeyXGJLRLGBECGWOO-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833502
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
CID 93082561
(1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 78921804
N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine
CID 63452371
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopentylethanamine
CID 62632475
methyl 2-[(5-bromothiophen-2-yl)methylamino]-3-methylbutanoate
CID 22966542
(2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine
CID 59978709
N-[(5-bromothiophen-2-yl)methyl]heptan-2-amine
CID 43399889
N-[(5-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012083
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
1-(3-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 61012571

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine (CID 20748992) is N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine is CC(C)C(C)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine?
The InChIKey is XGJLRLGBECGWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS/c1-7(2)8(3)12-6-9-4-5-10(11)13-9/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine?
N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine has a molecular weight of 262.22 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 20748992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).