(1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride

C10H17BrClNS — CID 171230637

IUPAC(1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride
SMILESCC(C)CC[C@H](N)c1sccc1Br.Cl
InChIInChI=1S/C10H16BrNS.ClH/c1-7(2)3-4-9(12)10-8(11)5-6-13-10;/h5-7,9H,3-4,12H2,1-2H3;1H/t9-;/m0./s1
InChIKeyBBXYZTULVJGTEM-FVGYRXGTSA-N
MW298.68 g/mol
LogP4.37
Rot. Bonds4

About (1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride

(1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride (PubChem CID 171230637) has the molecular formula C10H17BrClNS and a molecular weight of 298.68 g/mol. Its IUPAC name is (1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride
PubChem CID171230637
Molecular FormulaC10H17BrClNS
Molecular Weight298.68 g/mol
Exact Mass297.00
IUPAC Name(1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride
SMILESCC(C)CC[C@H](N)c1sccc1Br.Cl
InChIInChI=1S/C10H16BrNS.ClH/c1-7(2)3-4-9(12)10-8(11)5-6-13-10;/h5-7,9H,3-4,12H2,1-2H3;1H/t9-;/m0./s1
InChIKeyBBXYZTULVJGTEM-FVGYRXGTSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.68
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736
1-(3-bromothiophen-2-yl)tridecan-1-amine
CID 115846566
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
CID 80534875
(1R)-1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055235
(3S)-3-amino-3-(3-bromothiophen-2-yl)propanenitrile
CID 131189229
ethyl (3S)-3-amino-3-(3-bromothiophen-2-yl)propanoate;hydrochloride
CID 171230640
(1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine
CID 130739172
(3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide
CID 115380713
1-(3-bromothiophen-2-yl)-N-cyclopropyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 115380381
1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine
CID 63798481
3-(3-bromothiophen-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 81019117

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride (CID 171230637) is (1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride is CC(C)CC[C@H](N)c1sccc1Br.Cl.
What is the InChIKey of (1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride?
The InChIKey is BBXYZTULVJGTEM-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H16BrNS.ClH/c1-7(2)3-4-9(12)10-8(11)5-6-13-10;/h5-7,9H,3-4,12H2,1-2H3;1H/t9-;/m0./s1.
What are the key properties of (1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride?
(1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride has a molecular weight of 298.68 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride is sourced from PubChem (CID 171230637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).