1-(4-bromothiophen-3-yl)-4-methylpentan-3-amine

C10H16BrNS — CID 79601574

IUPAC1-(4-bromothiophen-3-yl)-4-methylpentan-3-amine
SMILESCC(C)C(N)CCc1cscc1Br
InChIInChI=1S/C10H16BrNS/c1-7(2)10(12)4-3-8-5-13-6-9(8)11/h5-7,10H,3-4,12H2,1-2H3
InChIKeyNBKMJXARLFGLCU-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.43
Rot. Bonds4

About 1-(4-bromothiophen-3-yl)-4-methylpentan-3-amine

1-(4-bromothiophen-3-yl)-4-methylpentan-3-amine (PubChem CID 79601574) has the molecular formula C10H16BrNS and a molecular weight of 262.22 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-4-methylpentan-3-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-4-methylpentan-3-amine
PubChem CID79601574
Molecular FormulaC10H16BrNS
Molecular Weight262.22 g/mol
Exact Mass261.02
IUPAC Name1-(4-bromothiophen-3-yl)-4-methylpentan-3-amine
SMILESCC(C)C(N)CCc1cscc1Br
InChIInChI=1S/C10H16BrNS/c1-7(2)10(12)4-3-8-5-13-6-9(8)11/h5-7,10H,3-4,12H2,1-2H3
InChIKeyNBKMJXARLFGLCU-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-(bromomethyl)thiophene
CID 13354759
3-bromo-4-heptylthiophene
CID 130384503
4-methyl-1-(2-methylphenyl)pentan-3-amine
CID 43175902
4-methyl-1-naphthalen-1-ylpentan-3-amine
CID 43370560
1-(2,3-difluorophenyl)-4-methylpentan-3-amine
CID 43659052
1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine
CID 79701954
N-[(4-bromothiophen-3-yl)methyl]but-3-yn-2-amine
CID 130524653
1-(2-chloro-4-methylphenyl)-4-methylpentan-3-amine
CID 106864879
4-amino-1-(4-bromothiophen-3-yl)pentan-1-one
CID 116571770
1-(4-bromothiophen-3-yl)pentan-1-amine
CID 79016546
1-[(4-bromothiophen-3-yl)methyl]-1-hydroxyurea
CID 19780456
4-(2-aminoethyl)-1-(4-bromothiophen-3-yl)-5-methylhexan-1-one
CID 116578005

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-4-methylpentan-3-amine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-4-methylpentan-3-amine (CID 79601574) is 1-(4-bromothiophen-3-yl)-4-methylpentan-3-amine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-4-methylpentan-3-amine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-4-methylpentan-3-amine is CC(C)C(N)CCc1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-4-methylpentan-3-amine?
The InChIKey is NBKMJXARLFGLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNS/c1-7(2)10(12)4-3-8-5-13-6-9(8)11/h5-7,10H,3-4,12H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-4-methylpentan-3-amine?
1-(4-bromothiophen-3-yl)-4-methylpentan-3-amine has a molecular weight of 262.22 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-4-methylpentan-3-amine is sourced from PubChem (CID 79601574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).