(1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride

C10H18ClNS — CID 171222735

IUPAC(1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
SMILESCCC(C)[C@H](N)c1sccc1C.Cl
InChIInChI=1S/C10H17NS.ClH/c1-4-7(2)9(11)10-8(3)5-6-12-10;/h5-7,9H,4,11H2,1-3H3;1H/t7?,9-;/m0./s1
InChIKeyGUTKWGNSDUMVLX-ABKGKFHGSA-N
MW219.78 g/mol
LogP3.52
Rot. Bonds3

About (1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride

(1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride (PubChem CID 171222735) has the molecular formula C10H18ClNS and a molecular weight of 219.78 g/mol. Its IUPAC name is (1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
PubChem CID171222735
Molecular FormulaC10H18ClNS
Molecular Weight219.78 g/mol
Exact Mass219.08
IUPAC Name(1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
SMILESCCC(C)[C@H](N)c1sccc1C.Cl
InChIInChI=1S/C10H17NS.ClH/c1-4-7(2)9(11)10-8(3)5-6-12-10;/h5-7,9H,4,11H2,1-3H3;1H/t7?,9-;/m0./s1
InChIKeyGUTKWGNSDUMVLX-ABKGKFHGSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.78
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
CID 130144766
(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
CID 130649294
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736
2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol
CID 116942474
(1R)-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 55276293
ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193
1-(3-chloro-4-methylthiophen-2-yl)-2-methylbutan-1-amine
CID 103406871
1-(3-methylthiophen-2-yl)hexan-1-amine;hydrochloride
CID 86262849
N'-methyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945946
3-[2-amino-1-(3-methylthiophen-2-yl)butyl]sulfanylbutan-2-ol
CID 107770577
(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 171313604
2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116710769

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride?
The IUPAC name of (1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride (CID 171222735) is (1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride?
The canonical SMILES for (1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride is CCC(C)[C@H](N)c1sccc1C.Cl.
What is the InChIKey of (1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride?
The InChIKey is GUTKWGNSDUMVLX-ABKGKFHGSA-N. The full InChI is InChI=1S/C10H17NS.ClH/c1-4-7(2)9(11)10-8(3)5-6-12-10;/h5-7,9H,4,11H2,1-3H3;1H/t7?,9-;/m0./s1.
What are the key properties of (1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride?
(1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride has a molecular weight of 219.78 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride is sourced from PubChem (CID 171222735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).